| A | B | C | D | E | F | G | H | I | J | K | L | M | N | O | P | Q | R | S | T | U | V | W | X | Y | Z | AA | AB | AC | AD | AE | AF | AG | AH | AI | AJ | AK | AL | AM | AN | AO | AP | AQ | AR | AS | AT | AU | AV | AW | AX | AY | AZ | BA | BB | BC | BD | BE | BF | BG | BH | BI | BJ | BK | BL | BM | BN | BO | BP | BQ | BR | BS | BT | BU | BV | BW | BX | BY | BZ | CA | CB | CC | CD | CE | CF | CG | CH | CI | CJ | CK | CL | CM | CN | CO | CP | CQ | CR | CS | CT | CU | CV | ||
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1 | dmi | MYOS Codes | Other ID | Retest | aka | Series | Origin/Synthesised by | Year Screened | Notes | Mol Form | SMILES | Mw | LogD | Rot Bonds | LogP | Flexibility | InChI | InChiKey | Percentage growth of M.mycetomatis at .. uM of compound | MIC | No toxicity at | larval survival | Grain size and number in Galleria Mellonella larvae | Melanisation | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
2 | 1 | !!READ ME before entering new MYOS codes!! | How to fill this column | series 1 | 100 μM A | 100 μM B | 100 μM C | 100 μM mean | 100 μM stdev | 25 μM A | 25 μM B | 25 μM C | 25 μM mean | 25 μM stdev | 16μM | 8 μM | 4μM | 2μM | 1μM | 0.5μM | 0.25μM | 0.125μM | 0.06μM | 0.03μM | IC50 | IC90 | mm55 | mm13 | mm14 | mm26 | mm30 | mm41 | mm45 | mm49 | mm50 | mm54 | mm68 | S01 | I1 | I3 | I11 | P1 | Peru72012 | AL1 | CBS247.48 | MIC50 | uM | d10 survival % | d10 survival corrected with control (%) | d10 AUC | d10 ∆AUC | d10 p-value (Log-Rank) | Significant | median total number of grains | stdev | p-value total number (Mann-Whitney) | decrease in grain number? | median total size (mm2) | stdev | p-value total size (Mann-Whitney) | difference compared to conrol? | median size per grain mm2 | p-value (mann whitney) | stdev | difference compared to conrol? | difference in grain size distribution compared to control? | p-value of grain distribution (chi-square) | Median hemolymph | STDEV | p-value (Mann-Whitney) | Difference compared to control | ||||||||||||||||||||||||||||||
3 | 2 | MYOS_00001_00_01 | HPD14_1 | EPL-BS0495 | series 1 | 2019 | Hung's resynthesis | C19H21ClFN3O2 | FC1=CC(Cl)=CC=C1C(N2CCN(C(OCC)=O)CC2)C3=CC=CN=C3 | 377.85 | 2.494 | 6 | 2.494 | 0.2143 | -0.3 | -0.3 | 9.0 | 30.9 | 18.7 | 19.5 | 11.0 | -1.6 | -0.9 | -1.0 | -0.8 | -0.7 | 31.9 | 50.7 | 40.4 | 54.8 | 43.9 | 0.0 | 0.8 | 1.0 | 4.0 | 0.5 | 1.0 | 4.0 | 0.5 | 0.1 | 0.5 | 0.5 | 1.0 | 0.5 | 20 | 14.7 | 10.18 | 467.6 | 87.3 | 0.015 | yes * | ||||||||||||||||||||||||||||||||||||||||||||||||||
4 | 3 | MYOS_00001_00_02 | EPL-BS0495 | HPD14_1, EPL-BS0495 | series 1 | Hung | 2018 | Epichem | C19H21ClFN3O2 | CCOC(=O)N1CCN(CC1)C(c2cccnc2)c3ccc(Cl)cc3F | 377.85 | 2.494 | 6 | 2.494 | 0.2143 | InChI=1S/C19H21ClFN3O2/c1-2-26-19(25)24-10-8-23(9-11-24)18(14-4-3-7-22-13-14)16-6-5-15(20)12-17(16)21/h3-7,12-13,18H,2,8-11H2,1H3 | JWZYHPVOOKELNC-UHFFFAOYSA-N | 2.8 | 0.2 | -0.3 | 0.9 | 1.7 | 1.0 | 10.2 | -1.5 | 1.0 | 6.2 | 1.0 | 12.8 | 9.9 | 5.4 | 59.4 | 64.9 | 89.6 | 107.2 | 75.9 | 74.4 | 0.3 | 0.5 | 4.0 | 8.0 | 0.3 | >16 | 1.0 | 1.0 | >16 | 1.0 | 8.0 | 4.0 | 4.0 | 20 | 24.14 | 20.79 | 472.4 | 88.3 | 0.020 | yes * | 28 | 11 | 0.4629 | no | 0.0679 | 0.02897 | 0.2048 | no | 0.002444 | 0.8981 | 0.0001889 | no | no | 0.195 | 2.429 | 2.791 | 0.0749 | no | ||||||||||||||||||||||||||
5 | 4 | MYOS_00002_00_01 | EPL-BS0038 | series 1 | 2019 | OC(c1ccc(Cl)cc1)(c2cccnc2)c3ccccc3Cl | 330.22 | 2.753 | 3 | 2.753 | 0.125 | -0.9 | -5.7 | -3.3 | 3.4 | -3.1 | -3.2 | -3.1 | 0.1 | -4.7 | -5.2 | -4.9 | -5.3 | -4.8 | -4.9 | -0.2 | 67.9 | 64.4 | 73.2 | 0.2 | 0.2 | 0.3 | 0.3 | 0.3 | 4.0 | 4.0 | 1.0 | 1.0 | 0.3 | 0.5 | 2.0 | 1.0 | 20 | 6.5 | 1.98 | 295.2 | -85.1 | 0.189 | no | ||||||||||||||||||||||||||||||||||||||||||||||||||||
6 | 5 | MYOS_00003_00_01 | EPL-BS0800 | HPD10_1, EPL-BS0800 | series 1 | 2018 | C20H12F4N2O | OC(c1ccc(cc1)C(F)(F)F)(c2cccnc2)c3ccc(cc3F)C#N | 372.33 | 3.078 | 5 | 3.078 | 0.1724 | InChI=1S/C20H12F4N2O/c21-18-10-13(11-25)3-8-17(18)19(27,16-2-1-9-26-12-16)14-4-6-15(7-5-14)20(22,23)24/h1-10,12,27H | YRESKFMGHVGGOR-UHFFFAOYSA-N | 3.4 | -0.9 | -0.7 | 0.6 | 2.4 | -2.4 | -0.8 | 2.5 | -2.4 | 6.0 | 4.5 | 1.0 | 1.1 | 62.9 | 84.4 | 84.9 | 87.3 | 85.7 | 88.0 | 81.5 | 0.6 | 0.9 | 4.0 | 8.0 | 0.3 | >16 | 4.0 | 1.0 | >16 | 2.0 | 4.0 | 4.0 | 4.0 | 20 | 10 | 6.65 | 380 | -4.1 | 0.740 | no | 18 | 11 | 0.0190 * | yes | 0.0442 | 0.02493 | 0.0120 * | yes | 0.002108 | 0.012 * | 0.000183 | yes | no | 0.062 | 2.365 | 1.361 | 0.1171 | no | ||||||||||||||||||||||||||||
7 | 6 | MYOS_00003_00_02 | HPD10_1 | EPL-BS0800 | series 1 | Hung | 2019 | C20H12F4N2O | FC1=CC(C#N)=CC=C1C(C2=CC=C(C(F)(F)F)C=C2)(O)C3=CN=CC=C3 | 372.33 | 3.078 | 5 | 3.078 | 0.1724 | 1.1 | 1.1 | 10.8 | 8.7 | 5.1 | 8.2 | 2.9 | 3.5 | 0.6 | 0.2 | 1.3 | 42.4 | 74.2 | 81.9 | 88.2 | 76.7 | 95.5 | 0.9 | 1.7 | 4.0 | 4.0 | 0.5 | 2.0 | 4.0 | 1.0 | 4.0 | 1.0 | 1.0 | 1.0 | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
8 | 7 | MYOS_00004_00_01 | EPL-BS1025 | (S) enantiomer version of EPL-BS1246 | series 1 | 2018 | C24H21ClF3N3O | FC(F)(F)c1ccc(cc1)N2CCN(CC2)C(=O)C(c3ccc(Cl)cc3)c4cccnc4 | 459.9 | 3.465 | 6 | 3.465 | 0.1714 | InChI=1S/C24H21ClF3N3O/c25-20-7-3-17(4-8-20)22(18-2-1-11-29-16-18)23(32)31-14-12-30(13-15-31)21-9-5-19(6-10-21)24(26,27)28/h1-11,16,22H,12-15H2 | OJFZYAQGMWSUID-UHFFFAOYSA-N | 3.7 | -0.2 | -1.3 | 0.7 | 2.6 | -1.5 | 2.7 | 1.6 | -1.5 | 6.4 | 4.8 | 4.4 | 6.3 | 73.4 | 97.4 | 101.0 | 95.8 | 99.0 | 94.5 | 77.5 | 0.6 | 0.9 | 4.0 | 8.0 | 1.0 | 1.0 | >16 | 4.0 | 2.0 | 4.0 | 4.0 | 20 | 19.23 | 15.88 | 459.6 | 75.5 | 0.044 | yes * | 17 | 13 | 0.0529 | no | 0.0463 | 0.0354 | 0.042 * | yes | 0.002631 | 0.4376 | 0.0004753 | no | no | 0.946 | 2.115 | 1.396 | 0.1347 | no | ||||||||||||||||||||||||||||||
9 | 8 | MYOS_00005_00_01 | HPD9-1 | series 1 | Hung | 2019 | C19H12BrF4NO | BrC1=CC=C(C(C2=CC=C(C(F)(F)F)C=C2)(O)C3=CN=CC=C3)C(F)=C1 | 426.21 | 3.916 | 4 | 3.916 | 0.1429 | 2.0 | 2.0 | 54.6 | 38.1 | 60.7 | 51.1 | 11.7 | 2.6 | 3.7 | 3.2 | 2.0 | 46.6 | 69.5 | 84.3 | 63.9 | 81.1 | 65.6 | 0.9 | 1.7 | 4.0 | 4.0 | 0.5 | 0.5 | 4.0 | 1.0 | 4.0 | 0.5 | 0.5 | 1.0 | 1.0 | 20 | 7.7 | 3.18 | 325.6 | -54.7 | 0.412 | no | |||||||||||||||||||||||||||||||||||||||||||||||||||
10 | 9 | MYOS_00006_00_01 | EPL-BS0237 | series 1 | 2019 | Fc1cc(Cl)ccc1C(N2CCN(CC2)c3ccccc3)c4cccnc4 | 381.88 | 3.922 | 4 | 3.922 | 0.1333 | 15.1 | 4.3 | 11.2 | 10.2 | 5.5 | 9.7 | 13.4 | 11.1 | 9.7 | 1.9 | 15.6 | 9.6 | 14.0 | 13.5 | 43.7 | 73.4 | 69.1 | 77.3 | 82.3 | 97.3 | 1.0 | 7.0 | >16 | 4.0 | >16 | >16 | >16 | 4.0 | >16 | >16 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
11 | 10 | MYOS_00007_00_01 | EPL-BS0240 | series 1 | 2019 | OC(c1ccc(cc1)C(F)(F)F)(c2cccnc2)c3ccccc3F | 347.32 | 3.213 | 4 | 3.213 | 0.1481 | -1.6 | -5.8 | -3.7 | 3.0 | -4.8 | -6.2 | -4.8 | 1.0 | -4.3 | -5.4 | -6.8 | 17.0 | 60.4 | 68.1 | 59.3 | 60.7 | 67.6 | 76.4 | 1.2 | 2.6 | 2.0 | 2.0 | 1.0 | 16.0 | 16.0 | 8.0 | 4.0 | 2.0 | 4.0 | 8.0 | 4.0 | 20 | 7.7 | 3.18 | 370.5 | -9.8 | 0.932 | no | ||||||||||||||||||||||||||||||||||||||||||||||||||||
12 | 11 | MYOS_00008_00_01 | EPL-BS0178 | series 1 | 2018 | C19H13ClN2O | OC(c1ccc(Cl)cc1)(c2cccnc2)c3ccccc3C#N | 320.78 | 2.254 | 4 | 2.254 | 0.16 | InChI=1S/C19H13ClN2O/c20-17-9-7-15(8-10-17)19(23,16-5-3-11-22-13-16)18-6-2-1-4-14(18)12-21/h1-11,13,23H | KBTGCSCDEWFJKS-UHFFFAOYSA-N | -4.9 | 3.3 | -0.9 | -0.8 | 4.1 | 19.5 | 64.7 | -0.9 | 19.5 | 39.2 | 0.8 | 2.7 | 70.6 | 87.2 | 86.7 | 97.3 | 91.3 | 89.3 | 95.3 | 94.7 | 1.3 | 1.8 | 8.0 | >16 | 1.0 | >16 | 4.0 | 8.0 | >16 | 8.0 | >16 | >16 | 8.0 | 20 | 36.67 | 33.32 | 588.3 | 204.2 | <0.0001 | yes *** | 26 | 7.3 | 0.3636 | no | 0.0704 | 0.01775 | 0.1119 | no | 0.002341 | 0.2398 | 0.0001889 | no | no | 0.127 | 3.112 | 2.981 | 0.0941 | no | |||||||||||||||||||||||||||||
13 | 12 | MYOS_00009_00_01 | HPD20_1 | series 1 | Hung | 2019 | C19H15BrClNO | ClC(C=C1)=CC=C1C(C2=CC=CC=C2Br)(OC)C3=CN=CC=C3 | 387 | 5.094 | 4 | 5.094 | 0.16 | InChI=1S/C19H15BrClNO/c1-23-19(15-5-4-12-22-13-15,14-8-10-16(21)11-9-14)17-6-2-3-7-18(17)20/h2-13H,1H3 | HMQOHQZDQVILEQ-UHFFFAOYSA-N | 17.5 | 15.5 | 8.5 | 13.9 | 4.7 | 7.4 | 6.0 | 7.2 | 6.9 | 0.7 | -0.9 | -1.9 | -2.4 | 31.3 | 83.9 | 130.3 | 117.6 | 109.4 | 111.7 | 119.6 | 1.5 | 2.9 | 2.0 | 0.3 | >16 | 0.3 | 125.0 | 0.3 | 1.0 | 0.3 | 0.5 | 0.3 | 20 | 5.1 | 0.58 | 361.3 | -19 | 0.585 | no | |||||||||||||||||||||||||||||||||||||||||||||||
14 | 13 | MYOS_00010_00_01 | EPL-BS1246, MMV689244 | racemate version of EPL-BS1025 | series 1 | 2018 | C24H21ClF3N3O | FC(F)(F)c1ccc(cc1)N2CCN(CC2)C(=O)C(c3ccc(Cl)cc3)c4cccnc4 | 459.9 | 3.465 | 6 | 3.465 | 0.1714 | InChI=1S/C24H21ClF3N3O/c25-20-7-3-17(4-8-20)22(18-2-1-11-29-16-18)23(32)31-14-12-30(13-15-31)21-9-5-19(6-10-21)24(26,27)28/h1-11,16,22H,12-15H2/t22-/m0/s1 | OJFZYAQGMWSUID-QFIPXVFZSA-N | -9.9 | -1.2 | -1.0 | -4.0 | 5.1 | 0.5 | 12.2 | -1.0 | 0.5 | 11.0 | 2.8 | 37.4 | 70.4 | 108.2 | 86.7 | 97.6 | 102.9 | 105.2 | 90.5 | 87.2 | 1.5 | 2.9 | 2.0 | 8.0 | 0.3 | >16 | 1.0 | 1.0 | >16 | 2.0 | 2.0 | 4.0 | 4.0 | 20 | 7.14 | 3.79 | 325 | -59.1 | 0.610 | no | 22 | 5.9 | 0.0364 * | yes | 0.0533 | 0.01113 | 0.0364 * | yes | 0.002322 | 0.2818 | 0.0003115 | no | no | 0.266 | 0.4719 | 1.946 | 0.8099 | no | ||||||||||||||||||||||||||||
15 | 14 | MYOS_00011_00_01 | HPD12_1 | series 1 | Hung | 2019 | C21H25ClFN3O2 | FC1=CC(Cl)=CC=C1C(N2CCN(C(OC(C)(C)C)=O)CC2)C3=CC=CN=C3 | 405.9 | 2.793 | 6 | 2.793 | 0.2 | -0.4 | -0.4 | 65.2 | 61.4 | 20.7 | 49.1 | 24.7 | -1.0 | -1.3 | 4.5 | 41.9 | 59.1 | 62.0 | 79.4 | 79.0 | 70.4 | 69.3 | 1.6 | 3.5 | 4.0 | 2.0 | 1.0 | >16 | 8.0 | 2.0 | 0.5 | 2.0 | 2.0 | 2.0 | 2.0 | 20 | 3.3 | -1.22 | 195 | -185.3 | 0.0004 | yes (increased death) *** | |||||||||||||||||||||||||||||||||||||||||||||||||||
16 | 15 | MYOS_00012_00_01 | HPD17_2F3 | series 1 | Hung | 2019 | C18H13BrClNO | OC(C1=CC=C(Cl)C=C1)(C2=CC=CC=C2Br)C3=CN=CC=C3 | 374.66 | 3.344 | 3 | 3.344 | 0.125 | InChI=1S/C18H13BrClNO/c19-17-6-2-1-5-16(17)18(22,14-4-3-11-21-12-14)13-7-9-15(20)10-8-13/h1-12,22H | GUCUVVUQLSZNSI-UHFFFAOYSA-N | 3.3 | 6.5 | 12.8 | 7.5 | 4.8 | 17.8 | 9.4 | 6.9 | 11.4 | 5.7 | -0.5 | -1.9 | 32.4 | 109.1 | 92.3 | 134.0 | 113.7 | 99.8 | 120.9 | 95.6 | 3.4 | 5.7 | 4.0 | 125.0 | >16 | 0.3 | 125.0 | 125.0 | 1.0 | 0.3 | 1.0 | 0.3 | 20 | 13.2 | 8.68 | 464.5 | 84.2 | 0.064 | no | |||||||||||||||||||||||||||||||||||||||||||||||
17 | 16 | MYOS_00013_00_01 | EPL-BS0549 | series 1 | 2019 | Fc1cc(Cl)ccc1C(N2CCN(CC2)C(=O)C3CC3)c4cccnc4 | 373.86 | 2.176 | 5 | 2.176 | 0.1724 | 0.1 | 6.5 | 7.9 | 4.8 | 4.2 | 16.9 | 40.7 | 15.2 | 16.9 | 14.2 | 8.1 | 9.2 | 50.1 | 64.8 | 73.9 | 98.6 | 97.7 | 73.7 | 97.7 | 93.9 | 4.0 | 7.8 | >16 | >16 | 4.0 | >16 | >16 | >16 | >16 | 20 | 7.7 | 3.18 | 373.1 | -7.2 | 0.983 | no | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
18 | 17 | MYOS_00014_00_01 | EPL-BS0115 | series 1 | 2019 | OC(c1ccc(Cl)cc1)(c2cccnc2)c3cccs3 | 301.8 | 2.428 | 3 | 2.428 | 0.1364 | -9.4 | -7.9 | -8.6 | 1.0 | -4.0 | -3.9 | -4.0 | 0.1 | -3.7 | -4.5 | 60.5 | 61.0 | 51.9 | 50.5 | 63.6 | 65.7 | 72.0 | 66.6 | 4.6 | 7.2 | 8.0 | 2.0 | 4.0 | >16 | >16 | 16.0 | 8.0 | 8.0 | 8.0 | 8.0 | 8.0 | 20 | 8.88 | 1.74 | 247.8 | -5 | 0.82 | no | ||||||||||||||||||||||||||||||||||||||||||||||||||||
19 | 18 | MYOS_00015_00_01 | HPD30_1 | series 1 | Hung | 2019 | C18H19ClFN3O2 | FC1=CC(Cl)=CC=C1C(N2CCN(C(OC)=O)CC2)C3=CC=CN=C3 | 363.8 | 2.233 | 5 | 2.233 | 0.1852 | InChI=1S/C18H19ClFN3O2/c1-25-18(24)23-9-7-22(8-10-23)17(13-3-2-6-21-12-13)15-5-4-14(19)11-16(15)20/h2-6,11-12,17H,7-10H2,1H3 | AVIGTDYUKLOEGO-UHFFFAOYSA-N | 5.1 | 5.8 | 6.5 | 5.8 | 0.7 | 7.8 | 4.4 | 18.4 | 10.2 | 7.3 | -7.5 | 17.9 | 88.4 | 88.1 | 114.7 | 96.4 | 94.0 | 95.3 | 102.7 | 105.8 | 5.8 | 9.4 | 8.0 | 1.0 | >16 | 2.0 | 1.0 | 0,5 | 4.0 | 1.0 | 4.0 | 2.0 | 20 | 10.5 | 5.98 | 380.3 | 0 | 0.762 | no | |||||||||||||||||||||||||||||||||||||||||||||||
20 | 19 | MYOS_00016_00_01 | P4_C_003 | Retested: see Ascending No. 20 | DM7-1 | series 1 | Dmitrij | 2019 | new | C17H18ClFN2 | Fc1cc(Cl)ccc1C(c1cccnc1)N1CCCCC1 | 304 | 2.67 | 3 | 2.67 | 0.1304 | 2.5 | 58.9 | 78.7 | 78.7 | 82.0 | 79.7 | 53.3 | 63.0 | 87.3 | 73.2 | 48.0 | 75.8 | 83.0 | 78.9 | 8.1 | >16 | 1.0 | >16 | 1.0 | >16 | 4.0 | 4.0 | 4.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
21 | 20 | MYOS_00016_00_01 | DM7-1 | Ascending No. 19, 1st retest | P4_C_003 | series 1 | Dmitrij | 2020 | C17H18ClFN2 | Fc1cc(Cl)ccc1C(c1cccnc1)N1CCCCC1 | 304.79 | 2.67 | 3 | 2.67 | 0.1304 | 58.9 | 2.5 | 18.0 | 18.0 | 0.1 | -1.9 | 45.5 | 113.5 | 101.9 | 85.3 | 96.3 | 98.1 | 92.3 | 82.4 | 3.7 | 2.7 | 8.0 | 2.0 | 8.0 | >16 | 8.0 | 4.0 | 4.0 | 8.0 | 20 | 23.8 | 19.28 | 523.8 | 143.5 | 0.002 | yes ** | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
22 | 21 | MYOS_00017_00_01 | HPD25_1 | series 1 | Hung | 2019 | C18H14BrClN2 | NC(C1=CC=C(Cl)C=C1)(C2=CC=CC=C2Br)C3=CN=CC=C3 | 373.68 | 2.206 | 3 | 2.206 | 0.125 | InChI=1S/C18H14BrClN2/c19-17-6-2-1-5-16(17)18(21,14-4-3-11-22-12-14)13-7-9-15(20)10-8-13/h1-12H,21H2 | XAGYLHVSORRMNU-UHFFFAOYSA-N | 9.2 | 13.9 | 7.4 | 10.2 | 3.4 | 4.0 | 6.7 | 8.1 | 6.3 | 2.1 | -0.7 | 53.3 | 101.1 | 169.0 | 107.9 | 93.9 | 98.8 | 95.0 | 94.6 | 99.2 | 8.4 | 14.4 | 16.0 | 2.0 | >16 | 2.0 | 1.0 | 0.5 | 4.0 | 2.0 | 4.0 | 2.0 | 20 | 10 | 5.48 | 446.3 | 66 | 0.225 | no | |||||||||||||||||||||||||||||||||||||||||||||||
23 | 22 | MYOS_00018_00_01 | EPL-BS0132 | series 1 | 2019 | C23H15F6NO | OC(c1ccc(cc1)C(F)(F)F)(c2ccc(cc2)C(F)(F)F)c3cc4ccccc4[nH]3 | 435.37 | 4.493 | 5 | 4.493 | 0.1471 | -5.5 | -5.9 | -5.7 | 0.3 | -4.8 | -4.5 | -4.8 | 0.3 | -3.9 | 56.9 | 54.3 | 66.4 | 66.1 | 66.1 | 72.6 | 65.3 | 69.5 | 76.2 | 8.9 | 14.2 | 8.0 | >16 | 16.0 | >16 | 16.0 | >16 | >16 | 16.0 | >16 | >16 | >16 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
24 | 23 | MYOS_00019_00_01 | HPD8-1 | series 1 | Hung | 2019 | C20H13F3N2O | OC(C1=CN=CC=C1)(C2=CC=C(C(F)(F)F)C=C2)C3=CC=C(C#N)C=C3 | 354 | 3 | 5 | 3 | 0.1786 | 0.4 | 0.4 | 63.9 | 60.2 | 53.9 | 59.3 | 5.0 | 1.9 | 56.1 | 56.0 | 65.1 | 73.4 | 72.4 | 74.6 | 72.0 | 74.5 | 67.0 | 9.1 | 14.8 | >16 | 8.0 | 8.0 | 8.0 | >16 | >16 | 4.0 | 16.0 | 16.0 | >16 | 16.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
25 | 24 | MYOS_00020_01_01 | Cetirizine.HCl | series 1 | Hung | 2019 | C21H27Cl3N2O3 | O=C(COCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(Cl)C=C3)O.[H]Cl.[H]Cl | 461.81 | 1.5 | 8 | 1.7 | 0.2759 | 47.6 | 47.6 | 69.5 | 84.4 | 70.0 | 74.6 | 8.5 | 23.6 | 57.8 | 67.3 | 63.4 | 77.8 | 64.8 | 63.6 | 53.4 | 60.3 | 66.2 | 10.0 | >16 | >16 | >16 | 16.0 | >16 | >16 | >16 | 2.0 | >16 | >16 | >16 | >16 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
26 | 25 | MYOS_00021_00_01 | HPD3-4 | series 1 | Hung | 2019 | C19H13BrF3NO | BrC1=CC=C(C(C2=CC=C(C(F)(F)F)C=C2)(O)C3=CN=CC=C3)C=C1 | 408.22 | 3.905 | 4 | 3.905 | 0.1481 | 1.6 | 1.6 | 41.9 | 43.5 | 39.0 | 41.5 | 2.3 | 2.5 | 65.7 | 67.7 | 72.0 | 73.8 | 75.8 | 74.5 | 94.6 | 73.5 | 69.3 | 10.3 | 15.1 | >16 | 16.0 | 4.0 | >16 | >16 | >16 | 2.0 | 16.0 | 16.0 | 16.0 | 16.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
27 | 26 | MYOS_00022_00_01 | EPL-BS0447 | series 1 | 2019 | Fc1cc(Cl)ccc1C(N2CCN(CC2)C(=O)Nc3ccccc3)c4cccnc4 | 424.91 | 3.469 | 6 | 3.469 | 0.1818 | 4.0 | 12.7 | -0.1 | 5.5 | 6.5 | 22.2 | 53.8 | 14.5 | 22.2 | 28.5 | 7.2 | 69.1 | 85.9 | 85.5 | 82.7 | 96.6 | 87.7 | 92.7 | 101.4 | 96.4 | 10.8 | 15.8 | >16 | >16 | >16 | >16 | >16 | >16 | >16 | >16 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
28 | 27 | MYOS_00023_00_01 | EPL-BS0271 | series 1 | 2019 | OC(c1ccc(Cl)cc1)(c2ccc(cc2)C#N)c3cccnc3 | 320.78 | 2.254 | 4 | 2.254 | 0.16 | -5.5 | -7.2 | -6.3 | 1.2 | 4.1 | -4.5 | 4.1 | 12.2 | 37.6 | 73.2 | 93.6 | 64.4 | 64.9 | 74.7 | 72.0 | 70.0 | 75.1 | 68.6 | 13.2 | >16 | >16 | 16.0 | 16.0 | >16 | >16 | >16 | >16 | 16.0 | >16 | >16 | >16 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
29 | 28 | MYOS_00024_00_01 | P4_C_001 | DM6-1 | series 1 | Dmitrij | 2019 | new | C16H16ClFN2O | Fc1cc(Cl)ccc1C(c1cccnc1)N1CCOCC1 | 306 | 2.489 | 3 | 2.489 | 0.1304 | 28.1 | 28.1 | 115.5 | 115.5 | 54.5 | 68.8 | 69.8 | 71.6 | 78.2 | 71.8 | 45.5 | 68.8 | 71.3 | 83.1 | 13.6 | >16 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
30 | 29 | MYOS_00024_00_01 | DM6-1 | P4_C_001 | series 1 | Dmitrij | 2020 | C16H16ClFN2O | Fc1cc(Cl)ccc1C(c1cccnc1)N1CCOCC1 | 306.77 | 2.489 | 3 | 2.489 | 0.1304 | 83.8 | 83.8 | 46.8 | 46.8 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
31 | 30 | MYOS_00025_00_01 | P4_B_013 | LR8-1 | series 1 | Dmitrij | 2019 | new | C23H23ClFN3O | FC1=CC(Cl)=CC=C1C(N2CCN(C3=CC=C(OC)C=C3)CC2)C4=CN=CC=C4 | 411.91 | 3.994 | 5 | 3.994 | 0.1563 | 89.7 | 89.7 | 76.3 | 76.3 | 67.8 | 73.5 | 70.4 | 76.1 | 83.7 | 78.0 | 46.0 | 71.9 | 85.4 | 83.3 | 13.7 | >16 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
32 | 31 | MYOS_00026_00_01 | P4_C_009 | LR10-1 | series 1 | Dmitrij | 2019 | new | C17H18ClFN2O | FC(C=C(Cl)C=C1)=C1C(N2CCC(O)CC2)C3=CC=CN=C3 | 320.79 | 1.911 | 3 | 1.911 | 0.125 | 81.4 | 81.4 | 65.7 | 65.7 | 67.8 | 70.6 | 67.7 | 67.2 | 80.0 | 67.1 | 44.5 | 62.1 | 73.1 | 72.9 | 13.8 | >16 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
33 | 32 | MYOS_00027_00_01 | HPD26_1 | series 1 | Hung | 2019 | C18H13BrClN | [H]C(C1=CC=C(Cl)C=C1)(C2=CC=CC=C2Br)C3=CN=CC=C3 | 358.66 | 5.497 | 3 | 5.497 | 0.1304 | InChI=1S/C18H13BrClN/c19-17-6-2-1-5-16(17)18(14-4-3-11-21-12-14)13-7-9-15(20)10-8-13/h1-12,18H | YTHQTNFWVYJHFD-UHFFFAOYSA-N | 2.2 | 2.9 | 10.3 | 5.1 | 5.1 | 9.2 | 9.2 | 66.6 | 28.3 | 33.1 | 144.5 | 89.9 | 104.0 | 113.6 | 96.2 | 88.7 | 129.2 | 99.9 | 105.8 | 109.8 | >16 | >16 | >16 | 4.0 | >16 | 16.0 | 4.0 | 4.0 | 16.0 | 8.0 | 16.0 | 16.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
34 | 33 | MYOS_00028_00_01 | HPD27_2 | series 1 | Hung | 2019 | C21H25ClFN3O2 | FC1=CC(Cl)=CC=C1C(N2CCN(C(OCC)=O)C(C)(C)C2)C3=CC=CN=C3 | 405.9 | 2.75 | 6 | 2.75 | 0.2 | InChI=1S/C21H25ClFN3O2/c1-4-28-20(27)26-11-10-25(14-21(26,2)3)19(15-6-5-9-24-13-15)17-8-7-16(22)12-18(17)23/h5-9,12-13,19H,4,10-11,14H2,1-3H3 | WOUOWJBNAVEZIF-UHFFFAOYSA-N | 3.5 | 23.0 | 62.5 | 29.7 | 5.1 | 57.5 | 64.5 | 51.2 | 57.8 | 6.7 | 120.3 | 93.5 | 99.2 | 106.9 | 97.9 | 96.4 | 89.7 | 98.9 | 105.1 | 85.6 | >16 | >16 | >16 | 4.0 | >16 | 16.0 | 1.0 | >16 | 8.0 | 4.0 | 16.0 | 16.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
35 | 34 | MYOS_00029_00_01 | HPD28_1F2(SS,RR) | F2 (SS, RR isomers) | series 1 | Hung | 2019 | C20H23ClFN3O2 | (RR) ClC(C=C1F)=CC=C1[C@@](N2[C@H](C)CN(C(OCC)=O)CC2)([H])C3=CN=CC=C3 (SS)ClC(C=C1F)=CC=C1[C@](N2[C@@H](C)CN(C(OCC)=O)CC2)([H])C3=CN=CC=C3 | 391.9 | 2.614 | 6 | 2.614 | 0.2069 | 6.5 | 11.7 | 23.2 | 13.8 | 5.1 | 3.3 | 7.4 | 36.1 | 15.6 | 17.9 | 161.9 | 103.3 | 114.6 | 104.6 | 118.4 | 91.9 | 201.7 | 112.6 | 123.6 | 103.7 | >16 | >16 | >16 | 2.0 | >16 | 8.0 | 2.0 | 2.0 | 8.0 | 2.0 | 8.0 | 8.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
36 | 35 | MYOS_00030_00_01 | HPD28_1F3(SR,RS) | F3 (SR, RS isomers) | series 1 | Hung | 2019 | C20H23ClFN3O2 | (RS) ClC(C=C1F)=CC=C1[C@](N2[C@H](C)CN(C(OCC)=O)CC2)([H])C3=CN=CC=C3 (SR) ClC(C=C1F)=CC=C1[C@@](N2[C@@H](C)CN(C(OCC)=O)CC2)([H])C3=CN=CC=C3 | 391.9 | 2.614 | 6 | 2.614 | 0.2069 | 5.8 | 9.2 | 15.3 | 10.1 | 5.1 | 39.5 | 45.6 | 51.0 | 45.3 | 5.8 | 127.5 | 119.5 | 114.4 | 110.5 | 116.7 | 111.6 | 128.3 | 104.3 | 91.0 | 97.9 | >16 | >16 | >16 | 4.0 | >16 | 8.0 | 4.0 | 2.0 | 16.0 | 16.0 | 16.0 | 16.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
37 | 36 | MYOS_00031_00_01 | HPD29_1 | series 1 | Hung | 2019 | C24H23ClFN3O2 | FC1=CC(Cl)=CC=C1C(N2CCN(C(OCC3=CC=CC=C3)=O)CC2)C4=CC=CN=C4 | 439.92 | 3.544 | 7 | 3.544 | 0.2059 | InChI=1S/C24H23ClFN3O2/c25-20-8-9-21(22(26)15-20)23(19-7-4-10-27-16-19)28-11-13-29(14-12-28)24(30)31-17-18-5-2-1-3-6-18/h1-10,15-16,23H,11-14,17H2 | IRKJDSRSACUILA-UHFFFAOYSA-N | 22.1 | 69.3 | 86.0 | 59.1 | 5.1 | 21.8 | 22.3 | 16.9 | 20.3 | 3.0 | 141.9 | 114.4 | 115.3 | 110.8 | 104.8 | 151.7 | 149.5 | 99.4 | 105.3 | 115.6 | >16 | >16 | >16 | 16.0 | >16 | >16 | 8.0 | >16 | >16 | >16 | >16 | >16 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
38 | 37 | MYOS_00032_00_01 | EPL-BS0114 | series 1 | 2019 | CCCCC(O)(c1ccc(Cl)cc1)c2cncnc2 | 276.77 | 3.624 | 5 | 3.624 | 0.25 | -4.1 | -7.4 | -5.8 | 2.3 | -4.8 | -5.2 | -4.8 | 0.6 | 84.8 | 90.0 | 62.3 | 58.1 | 79.3 | 72.5 | 72.4 | 75.4 | 76.8 | 64.1 | >16 | >16 | >16 | >16 | 16.0 | >16 | >16 | >16 | >16 | 16.0 | 16.0 | >16 | >16 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
39 | 38 | MYOS_00033_00_01 | P4_A_002 | LR5-1 | series 1 | Dmitrij | 2019 | new | C19H23ClFN3O | FC(C=C(Cl)C=C1)=C1C(N2CCN(CCCO)CC2)C3=CC=CN=C3 | 363.86 | 2.166 | 6 | 2.166 | 0.2222 | 108.5 | 108.5 | 102.7 | 102.7 | 95.0 | 96.6 | 84.3 | 98.1 | 97.2 | 76.9 | 103.8 | 90.6 | 84.2 | 110.3 | >16 | >16 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
40 | 39 | MYOS_00034_00_01 | P4_B_001 | LR7-1 | series 1 | Dmitrij | 2019 | new | C21H20ClFN4 | FC1=CC(Cl)=CC=C1C(N2CCN(C3=CC=NC=C3)CC2)C4=CN=CC=C4 | 382.87 | 3.143 | 4 | 3.143 | 0.1333 | 48.4 | 48.4 | 94.8 | 94.8 | 88.1 | 92.2 | 77.3 | 72.6 | 72.6 | 72.8 | 57.7 | 72.2 | 66.9 | 79.3 | >16 | >16 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
41 | 40 | MYOS_00035_00_01 | P4_B_002 | LR9-1 | series 1 | Dmitrij | 2019 | new | C21H20ClFN4 | FC1=CC(Cl)=CC=C1C(N2CCN(C3=CC=CC=N3)CC2)C4=CN=CC=C4 | 382.87 | 3.23 | 4 | 3.23 | 0.1333 | 79.8 | 79.8 | 70.5 | 70.5 | 80.9 | 84.3 | 63.7 | 53.6 | 63.9 | 54.2 | 45.5 | 63.4 | 68.9 | 87.1 | >16 | >16 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
42 | 41 | MYOS_00036_00_01 | EPL-BS0083 | series 1 | 2018 | C16H12ClN3O | OC(c1ccc(Cl)cc1)(c2cccnc2)c3cncnc3 | 297.75 | 1.861 | 3 | 1.861 | 0.1304 | 114.3 | 100.3 | 91.0 | 101.8 | 11.7 | 86.0 | 77.4 | 87.9 | 86.0 | 7.8 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
43 | 42 | MYOS_00037_00_01 | EPL-BS0118 | series 1 | 2018 | C18H15Cl2NO | Cn1cccc1C(O)(c2ccc(Cl)cc2)c3ccc(Cl)cc3 | 332.23 | 3.116 | 3 | 3.116 | 0.125 | -7.3 | 1.4 | -0.4 | -2.1 | 4.6 | 45.5 | 69.0 | 68.4 | 45.5 | 40.2 | 44.9 | 68.1 | 113.8 | 116.2 | 147.4 | 93.6 | 84.7 | 93.3 | 97.8 | 97.8 | 14.5 | 5.8 | >16 | >16 | >16 | 16.0 | >16 | 16.0 | >16 | >16 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
44 | 43 | MYOS_00038_00_01 | EPL-BS0167 | series 1 | 2018 | C18H22ClN3 | CCN1CCN(CC1)C(c2ccc(Cl)cc2)c3cccnc3 | 315.85 | 2.631 | 4 | 2.631 | 0.1667 | -8.4 | 118.1 | 58.3 | 56.0 | 63.2 | 97.3 | 84.0 | 105.2 | 97.3 | 11.6 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
45 | 44 | MYOS_00039_00_01 | EPL-BS0282 | series 1 | 2018 | C19H20ClN3 | Clc1ccc(cc1)C(CC2CCCCC2)(C#N)c3cnccn3 | 325.84 | 5.514 | 5 | 5.514 | 0.2 | -1.7 | 76.5 | 1.4 | 25.4 | 44.3 | 57.2 | 115.6 | 55.5 | 57.2 | 57.6 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
46 | 45 | MYOS_00040_00_01 | EPL-BS0290 | series 1 | 2018 | C14H12F3N3O | CC(=O)NC(c1ccc(cc1)C(F)(F)F)c2cnccn2 | 295.27 | 2.321 | 5 | 2.321 | 0.2273 | 122.0 | 111.1 | 100.9 | 111.3 | 10.6 | 96.6 | 73.4 | 97.1 | 96.6 | 23.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
47 | 46 | MYOS_00041_00_01 | EPL-BS0309 | series 1 | 2018 | C19H16F3N3O2S | FC(F)(F)c1ccc(cc1)C(NS(=O)(=O)Cc2ccccc2)c3cnccn3 | 407.42 | 4.958 | 7 | 4.958 | 0.2333 | 112.5 | 77.6 | 54.4 | 81.5 | 29.3 | 90.5 | 84.3 | 92.6 | 90.5 | 5.5 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
48 | 47 | MYOS_00042_00_01 | EPL-BS0374 | series 1 | 2018 | C15H10Cl2N2OS | OC(c1ccc(Cl)cc1)(c2cccnc2)c3cnc(Cl)s3 | 337.23 | 2.379 | 3 | 2.379 | 0.1304 | -7.0 | 0.3 | -1.3 | -2.7 | 3.8 | 97.5 | 116.0 | 73.8 | 97.5 | 21.5 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
49 | 48 | MYOS_00043_00_01 | EPL-BS0400 | series 1 | 2018 | C25H26ClN3O3 | OC(c1ccc(Cl)cc1)(c2cccnc2)c3cccc(c3)C(=O)NCCN4CCOCC4 | 451.96 | 3.825 | 6 | 3.825 | 0.1714 | 80.7 | 76.7 | 98.6 | 85.3 | 11.7 | 92.9 | 81.2 | 86.2 | 92.9 | 16.1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
50 | 49 | MYOS_00044_00_01 | EPL-BS0407 | series 1 | 2018 | C25H28ClN3O2S | CC(C)c1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(c3ccc(Cl)cc3)c4cccnc4 | 470.04 | 3.825 | 6 | 3.825 | 0.1714 | 48.5 | 74.9 | 43.7 | 55.7 | 16.8 | 68.8 | 110.0 | 43.5 | 68.8 | 36.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
51 | 50 | MYOS_00045_00_01 | EPL-BS0425 | series 1 | 2018 | C23H21F5N4O2S | Fc1ccc(C(NC2CCN(CC2)S(=O)(=O)c3ccc(cc3)C(F)(F)F)c4cnccn4)c(F)c1 | 512.51 | 2.242 | 7 | 2.242 | 0.1842 | 59.3 | 84.0 | 46.0 | 63.1 | 19.3 | 66.1 | 62.3 | 47.3 | 66.1 | 21.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
52 | 51 | MYOS_00046_00_01 | EPL-BS0435 | series 1 | 2018 | C20H24F3N5O | CN(C)C(=O)N1CCC(CC1)NC(c2ccc(cc2)C(F)(F)F)c3cnccn3 | 407.44 | 1.117 | 7 | 1.117 | 0.2258 | 106.8 | 69.3 | 64.3 | 80.1 | 23.2 | 85.7 | 73.7 | 73.6 | 85.7 | 20.9 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
53 | 52 | MYOS_00047_00_01 | EPL-BS0480 | series 1 | 2018 | C20H25ClN4O | CN(C)C(=O)N1CCC(CC1)NC(c2ccc(Cl)cc2)c3cccnc3 | 372.9 | 1.248 | 6 | 1.248 | 0.2143 | 68.0 | 85.8 | 59.4 | 71.1 | 13.4 | 85.3 | 75.1 | 73.7 | 85.3 | 18.9 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
54 | 53 | MYOS_00048_00_01 | EPL-BS0506 | series 1 | 2018 | C24H31ClN4O | Clc1ccc(cc1)C(NC2CCN(CC2)C(=O)NC3CCCCC3)c4cccnc4 | 426.99 | 2.165 | 7 | 2.165 | 0.2121 | 104.3 | 71.8 | 52.5 | 76.2 | 26.2 | 98.8 | 110.8 | 77.4 | 98.8 | 18.6 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
55 | 54 | MYOS_00049_00_01 | EPL-BS0512 | series 1 | 2018 | C22H21ClN2O2 | CC(C)Oc1ccc(cc1)C(NC(=O)c2ccc(Cl)cc2)c3cccnc3 | 380.88 | 3.895 | 7 | 3.895 | 0.2414 | -0.1 | 69.4 | 62.8 | 44.0 | 38.4 | 71.7 | 56.7 | 64.4 | 71.7 | 19.8 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
56 | 55 | MYOS_00050_00_01 | EPL-BS0516 | series 1 | 2018 | C21H27ClN4O2 | CC(C)(C)OC(=O)NC1CCN(CC1)C(c2ccc(Cl)cc2)c3cncnc3 | 403 | 2.431 | 7 | 2.431 | 0.2333 | 106.5 | 77.4 | 82.2 | 88.7 | 15.6 | 82.1 | 74.2 | 71.4 | 82.1 | 16.2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
57 | 56 | MYOS_00051_00_01 | EPL-BS0566 | series 1 | 2018 | C23H23F3N4O2 | Cc1cc([nH]n1)C(=O)NC2CCN(CC2)C(c3cncnc3)c4ccc(Cl)cc4F | 444 | 1.762 | 6 | 1.762 | 0.1818 | -9.9 | 42.3 | -0.2 | 10.7 | 27.8 | 81.0 | 104.8 | 54.0 | 81.0 | 25.6 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
58 | 57 | MYOS_00052_00_01 | EPL-BS0593 | series 1 | 2018 | C21H22ClFN6O | Cc1cc([nH]n1)C(=O)NC2CCN(CC2)C(c3cncnc3)c4ccc(Cl)cc4F | 429 | 1.762 | 6 | 1.762 | 0.1818 | 5.8 | 74.4 | 77.3 | 52.5 | 40.5 | 83.0 | 81.7 | 65.2 | 83.0 | 18.5 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
59 | 58 | MYOS_00053_00_01 | EPL-BS0633 | series 1 | 2018 | C21H20ClFN4OS | Fc1cc(Cl)ccc1C(NC2CCN(CC2)C(=O)c3cscn3)c4cccnc4 | 430.94 | 1.742 | 6 | 1.742 | 0.1875 | 47.6 | 60.6 | 72.0 | 60.1 | 12.2 | 85.9 | 101.7 | 57.3 | 85.9 | 24.8 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
60 | 59 | MYOS_00054_00_01 | EPL-BS0654 | series 1 | 2018 | C17H19F3N4O2S | CS(=O)(=O)N1CCN(CC1)C(c2ccc(cc2)C(F)(F)F)c3cncnc3 | 400.43 | 1.454 | 5 | 1.454 | 0.1724 | 100.2 | 75.7 | 84.9 | 86.9 | 12.4 | 93.0 | 74.0 | 84.8 | 93.0 | 24.1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
61 | 60 | MYOS_00055_00_01 | EPL-BS0690 | series 1 | 2018 | C22H21N5OS | Cc1ncsc1C(=O)N2CCN(CC2)C(c3ccc(cc3)C#N)c4cccnc4 | 403.51 | 1.616 | 6 | 1.616 | 0.1875 | 119.9 | 69.3 | 68.9 | 86.0 | 29.3 | 92.1 | 74.1 | 97.1 | 92.1 | 16.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
62 | 61 | MYOS_00056_00_01 | EPL-BS0713 | series 1 | 2018 | C22H21N5O2 | O=C(NC1CCN(CC1)C(c2ccc(cc2)C#N)c3cccnc3)c4oncc4 | 387.44 | 1.608 | 7 | 1.608 | 0.2188 | 71.5 | 71.5 | 61.1 | 68.1 | 6.0 | 86.0 | 81.7 | 75.6 | 86.0 | 13.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
63 | 62 | MYOS_00057_00_01 | EPL-BS0729 | series 1 | 2018 | C19H18F4N6O | Cc1noc(n1)N2CCN(CC2)C(c3cncnc3)c4ccc(cc4F)C(F)(F)F | 422.39 | 2.366 | 5 | 2.366 | 0.1515 | -4.1 | 47.5 | 0.9 | 14.8 | 28.4 | 47.8 | 69.2 | 62.6 | 47.8 | 31.6 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
64 | 63 | MYOS_00058_00_01 | EPL-BS0793 | series 1 | 2018 | C23H22F3N3OS | FC(F)(F)c1ccc(cc1)C(NC2CCN(CC2)C(=O)c3ccccc3)c4cncs4 | 445.51 | 2.329 | 7 | 2.329 | 0.2059 | 22.4 | 46.3 | 36.9 | 35.2 | 12.0 | 87.9 | 95.2 | 79.0 | 87.9 | 8.2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
65 | 64 | MYOS_00059_00_01 | EPL-BS0831 | series 1 | 2018 | C23H20F3N3O | FC(F)(F)c1ccc(cc1)C(NC2CN(C2)C(=O)c3ccccc3)c4cccnc4 | 411.43 | 2.138 | 7 | 2.138 | 0.2121 | 69.1 | 75.0 | 55.3 | 66.5 | 10.1 | 71.2 | 75.5 | 65.1 | 71.2 | 5.4 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
66 | 65 | MYOS_00060_00_01 | EPL-BS0836 | series 1 | 2018 | C23H23F3N4O2 | Cc1onc(C)c1C(=O)N2CCC(CC2)N(c3ccc(cc3)C(F)(F)F)c4cccnc4 | 444.46 | 3.882 | 6 | 3.882 | 0.1714 | 81.2 | 93.9 | 74.0 | 83.0 | 10.0 | 87.6 | 74.7 | 82.7 | 87.6 | 16.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
67 | 66 | MYOS_00061_00_01 | EPL-BS0967 | series 1 | 2018 | C23H20F6N4 | FC(F)(F)c1ccc(cc1)N(C2CCN(CC2)c3ccc(cn3)C(F)(F)F)c4cccnc4 | 466.43 | 3.109 | 6 | 3.109 | 0.1667 | -9.1 | 83.9 | 58.4 | 44.4 | 48.1 | 46.1 | 84.0 | 46.4 | 46.1 | 38.1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
68 | 67 | MYOS_00062_00_01 | EPL-BS1007 | series 1 | 2018 | C20H22F3N3O | CC(=O)N(CC1CCN(CC1)c2ccc(cc2)C(F)(F)F)c3cccnc3 | 377.41 | 1.804 | 6 | 1.804 | 0.2069 | 98.3 | 69.0 | 83.3 | 83.5 | 14.6 | 96.8 | 92.9 | 86.6 | 96.8 | 12.6 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
69 | 68 | MYOS_00063_00_01 | EPL-BS1071 | series 1 | 2018 | C21H26N4O | CC(C)(O)CN1CCC(CC1)N(c2ccc(cc2)C#N)c3cccnc3 | 350.47 | 1.295 | 6 | 1.295 | 0.2143 | 94.9 | 65.3 | 71.9 | 77.4 | 15.6 | 73.0 | 72.4 | 71.9 | 73.0 | 1.5 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
70 | 69 | MYOS_00064_00_01 | EPL-BS1296 | series 1 | 2018 | C25H24N4O3S | CS(=O)(=O)c1ccc(cc1)N2CCN(CC2)C(=O)C(c3ccc(cc3)C#N)c4cccnc4 | 460.56 | 2.158 | 7 | 2.158 | 0.1944 | 47.9 | 78.3 | 63.5 | 63.2 | 15.2 | 80.4 | 73.8 | 68.3 | 80.4 | 16.4 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
71 | 70 | MYOS_00065_00_01 | EPL-BS1338 | series 1 | 2018 | C23H26N4O3 | CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C(c2ccc(cc2)C#N)c3cccnc3 | 406.49 | 2.369 | 8 | 2.369 | 0.25 | 4.3 | 68.6 | 23.2 | 32.0 | 33.0 | 86.7 | 111.4 | 68.2 | 86.7 | 22.3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
72 | 71 | MYOS_00066_00_01 | EPL-BS1365 | series 1 | 2019 | Clc1ccc(cc1)C(C(=O)N2CCN(CC2)C(=O)c3ccc(Cl)cc3)c4cccnc4 | 454.36 | 2.957 | 6 | 2.957 | 0.1765 | 105.6 | 101.9 | 68.4 | 92.0 | 20.5 | 69.6 | 70.7 | 73.6 | 69.6 | 4.6 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
73 | 72 | MYOS_00067_00_01 | EPL-BS0248 | series 1 | 2019 | CC(C)C(=O)N1CCN(CC1)C(c2cccnc2)c3ccc(Cl)cc3F | 375.88 | 2.399 | 5 | 2.399 | 0.1786 | -1.9 | 24.6 | 9.4 | 10.7 | 13.3 | 53.4 | 51.9 | 103.8 | 53.4 | 49.6 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
74 | 73 | MYOS_00068_00_01 | EPL-BS 250 | series 1 | 2019 | Fc1cc(Cl)ccc1C(N2CCN(CC2)C(=O)c3ccccc3)c4cccnc4 | 409.89 | 2.867 | 5 | 2.867 | 0.1563 | -0.4 | 2.1 | 4.7 | 2.1 | 2.6 | 30.8 | 31.2 | 36.9 | 30.8 | 6.3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
75 | 74 | MYOS_00069_00_01 | EPL-BS 256 | series 1 | 2019 | Fc1cc(Cl)ccc1C(N2CCN(CC2)S(=O)(=O)c3ccccc3)c4cccnc4 | 445.95 | 3.203 | 5 | 3.203 | 0.1515 | 31.4 | 48.3 | 77.6 | 52.5 | 23.4 | 51.9 | 39.1 | 79.3 | 51.9 | 23.7 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
76 | 75 | MYOS_00070_00_01 | EPL-BS0322 | series 1 | 2019 | CS(=O)(=O)N1CCN(CC1)C(c2cccnc2)c3ccc(Cl)cc3F | 380.9 | 1.838 | 4 | 1.838 | 0.1481 | 57.9 | 67.5 | 125.2 | 83.6 | 36.4 | 78.0 | 62.5 | 92.7 | 78.0 | 15.1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
77 | 76 | MYOS_00071_00_01 | EPL-BS0494 | series 1 | 2019 | Fc1cc(Cl)ccc1C(N2CCN(CC2)C(=O)Oc3ccccc3)c4cccnc4 | 425.89 | 3.449 | 6 | 3.449 | 0.1818 | -0.3 | 23.4 | 11.4 | 11.5 | 11.9 | 29.9 | 28.2 | 63.5 | 29.9 | 32.7 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
78 | 77 | MYOS_00072_00_01 | EPL-BS0572 | series 1 | 2019 | Fc1cc(Cl)ccc1C(N2CCN(CC2)C(=O)C(F)(F)F)c3cccnc3 | 401.79 | 2.502 | 5 | 2.502 | 0.1724 | -4.8 | 0.0 | 0.8 | -1.3 | 3.0 | 86.5 | 65.3 | 146.8 | 86.5 | 52.9 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
79 | 78 | MYOS_00073_00_01 | EPL-BS0595 | series 1 | 2019 | Cc1ncsc1C(=O)N2CCN(CC2)C(c3cccnc3)c4ccc(Cl)cc4F | 430.94 | 2.378 | 5 | 2.378 | 0.1563 | -1.7 | 33.2 | 9.4 | 13.6 | 17.9 | 53.5 | 59.2 | 103.3 | 53.5 | 52.9 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
80 | 79 | MYOS_00074_00_01 | EPL-BS0609 | series 1 | 2019 | Cc1onc(c1)C(=O)N2CCN(CC2)C(c3cccnc3)c4ccc(Cl)cc4F | 414.87 | 2.29 | 5 | 2.29 | 0.1563 | -0.2 | 2.6 | 4.9 | 2.4 | 2.6 | 27.0 | 35.8 | 47.5 | 27.0 | 26.1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
81 | 80 | MYOS_00037_00_02 | EPL-BS0118 | series 1 | 2019 | C18H15Cl2NO | Cn1cccc1C(O)(c2ccc(Cl)cc2)c3ccc(Cl)cc3 | 332.23 | 3.116 | 3 | 3.116 | 0.125 | -4.3 | -7.0 | -5.7 | 1.9 | -4.8 | -5.2 | -4.8 | 0.6 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
82 | 81 | MYOS_00076_00_01 | EPL-BS0150 | series 1 | 2019 | CO\N=C(/Cc1ccccc1)\c2ccc(OC)cc2 | 255.32 | 3.726 | 5 | 3.726 | 0.25 | 84.8 | 84.3 | 84.6 | 0.3 | 95.9 | 103.0 | 95.9 | 10.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
83 | 82 | MYOS_00077_00_01 | EPL-BS0170 | series 1 | 2019 | CO\N=C(/Cc1ccccc1C)\c2cccnc2 | 240.31 | 3.007 | 4 | 3.007 | 0.2105 | 80.9 | 50.2 | 65.5 | 21.7 | 106.0 | 119.2 | 106.0 | 18.7 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
84 | 83 | MYOS_00078_00_01 | EPL-BS0193 | series 1 | 2019 | CC(=O)N1CCN(CC1)C(c2ccc(Cl)cc2)c3cccnc3 | 329.83 | 1.718 | 4 | 1.718 | 0.16 | 85.3 | 85.4 | 85.4 | 0.1 | 98.7 | 104.5 | 98.7 | 8.1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
85 | 84 | MYOS_00079_00_01 | EPL-BS0196 | series 1 | 2019 | CCCCC(NCC1CCCCC1)c2cccnc2 | 260.43 | 1.626 | 7 | 1.626 | 0.35 | 57.9 | 52.7 | 55.3 | 3.7 | 87.2 | 88.1 | 87.2 | 1.3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
86 | 85 | MYOS_00080_00_01 | EPL-BS207 | series 1 | 2019 | NC(=O)c1cccc(c1)C(O)(c2ccc(Cl)cc2)c3cccnc3 | 338.8 | 1.723 | 4 | 1.723 | 0.1538 | 108.2 | 72.7 | 90.4 | 25.1 | 104.6 | 109.8 | 104.6 | 7.4 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
87 | 86 | MYOS_00081_00_01 | EPL-BS0269 | series 1 | 2019 | CC(C)CCO\N=C(\Cc1cccnc1)/c2ccc(Cl)cc2Cl | 351.28 | 5.021 | 7 | 5.021 | 0.2917 | 0.6 | -6.3 | -2.9 | 4.9 | 52.8 | 56.5 | 52.8 | 5.2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
88 | 87 | MYOS_00082_00_01 | EPL-BS0277 | series 1 | 2019 | COc1ccccc1N2CCN(CC2)C(c3ccc(cc3)C(F)(F)F)c4cnccn4 | 428.46 | 3.551 | 6 | 3.551 | 0.1765 | 93.7 | 89.0 | 91.3 | 3.4 | 85.2 | 83.3 | 85.2 | 2.6 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
89 | 88 | MYOS_00083_00_01 | EPL-BS0282 | series 1 | 2019 | Clc1ccc(cc1)C(CC2CCCCC2)(C#N)c3cnccn3 | 325.84 | 5.514 | 5 | 5.514 | 0.2 | 71.2 | 69.8 | 70.5 | 1.0 | 81.4 | 83.1 | 81.4 | 2.4 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
90 | 89 | MYOS_00084_00_01 | EPL-BS0310 | series 1 | 2019 | CC(C)CS(=O)(=O)NC(c1ccc(cc1)C(F)(F)F)c2cnccn2 | 373.4 | 4.636 | 7 | 4.636 | 0.2692 | 69.4 | 64.1 | 66.7 | 3.7 | 85.2 | 86.4 | 85.2 | 1.7 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
91 | 90 | MYOS_00085_00_01 | EPL-BS0317 | series 1 | 2019 | FC(F)(F)c1ccc(cc1)C(NC(=O)c2ccc(cc2)C(F)(F)F)c3cnccn3 | 425.34 | 4.839 | 7 | 4.839 | 0.2188 | 82.8 | 75.1 | 79.0 | 5.4 | 81.4 | 83.4 | 81.4 | 2.8 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
92 | 91 | MYOS_00086_00_01 | EPL-BS0348 | series 1 | 2019 | COc1ccccc1N2CCN(CC2)C(c3cncnc3)c4ccc(Cl)cc4F | 412.9 | 3.753 | 5 | 3.753 | 0.1563 | 82.4 | 81.7 | 82.1 | 0.5 | 83.4 | 78.8 | 83.4 | 6.5 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
93 | 92 | MYOS_00087_00_01 | EPL-BS0356 | series 1 | 2019 | CCC(=O)N1CCN(CC1)C(c2ccc(Cl)cc2)c3cncnc3 | 344.85 | 1.707 | 5 | 1.707 | 0.1923 | 111.4 | 75.6 | 93.5 | 25.3 | 100.8 | 107.8 | 100.8 | 9.9 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
94 | 93 | MYOS_00088_00_01 | EPL-BS0358 | series 1 | 2019 | Clc1ccc(cc1)C(N2CCN(CC2)C(=O)C3CC3)c4cncnc4 | 356.86 | 1.811 | 5 | 1.811 | 0.1786 | 87.8 | 61.6 | 74.7 | 18.6 | 90.8 | 94.5 | 90.8 | 5.2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
95 | 94 | MYOS_00089_00_01 | EPL-BS0361 | series 1 | 2019 | Clc1ccc(cc1)C(N2CCN(CC2)S(=O)(=O)Cc3ccccc3)c4cncnc4 | 422.97 | 2.802 | 6 | 2.802 | 0.1818 | 45.9 | 48.9 | 47.4 | 2.1 | 68.7 | 70.4 | 68.7 | 2.4 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
96 | 95 | MYOS_00090_00_01 | EPL-BS0362 | series 1 | 2019 | Clc1ccc(cc1)C(N2CCN(CC2)S(=O)(=O)c3ccc(Cl)cc3)c4cncnc4 | 463.38 | 3.476 | 5 | 3.476 | 0.1515 | 93.2 | 73.2 | 83.2 | 14.1 | 85.8 | 84.3 | 85.8 | 2.1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
97 | 96 | MYOS_00091_00_01 | EPL-BS0388 | series 1 | 2019 | CC(=O)NC1CCN(CC1)C(c2cnccn2)c3ccc(F)cc3F | 346.38 | 1.157 | 5 | 1.157 | 0.1852 | 83.7 | 81.0 | 82.3 | 1.9 | 87.3 | 87.5 | 87.3 | 0.2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
98 | 97 | MYOS_00092_00_01 | EPL-BS0431 | series 1 | 2019 | FC(F)(F)c1ccc(cc1)C(N2CCC(CC2)NC(=O)c3ccc(cc3)C(F)(F)F)c4cnccn4 | 508.47 | 3.234 | 8 | 3.234 | 0.2051 | 101.2 | 92.6 | 96.9 | 6.1 | 82.4 | 84.0 | 82.4 | 2.2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
99 | 98 | MYOS_00093_00_01 | EPL-BS0449 | series 1 | 2019 | FC(F)(F)c1ccc(cc1)C(NC2CCN(CC2)C(=O)c3ccc(cc3)C(F)(F)F)c4cnccn4 | 508.47 | 2.583 | 8 | 2.583 | 0.2051 | 72.1 | 62.4 | 67.3 | 6.9 | 79.5 | 81.8 | 79.5 | 3.3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
100 | 99 | MYOS_00094_00_01 | EPL-BS0476 | series 1 | 2019 | CC(C)(C)NC(=O)N1CCC(CC1)NC(c2ccc(Cl)cc2)c3cccnc3 | 400.96 | 1.966 | 7 | 1.966 | 0.2333 | 85.6 | 82.9 | 84.2 | 1.9 | 87.7 | 87.9 | 87.7 | 0.3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||