164938183 -OEChem-09082321373D 66 70 0 0 0 0 0 0 0999 V2000 -3.7477 5.5219 -0.3423 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4086 0.2210 1.2258 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8355 -0.0789 0.0478 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5917 0.5668 0.4317 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4349 -1.9290 0.3069 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 -0.4742 0.3875 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3464 -0.8273 -0.6583 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6664 -0.1080 0.6215 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8317 -1.6199 -1.4142 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5731 0.6418 -0.9969 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3853 0.0112 1.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0690 0.3297 -0.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8876 -0.2799 1.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4594 -0.2664 -0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0313 0.3134 0.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9871 -0.9524 -1.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5606 0.2332 0.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1028 -3.3337 0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6104 -0.8706 0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6161 -1.1389 -1.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1896 0.0467 0.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7174 -0.6393 -0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3928 0.2423 0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2556 -0.9978 -0.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6583 -1.4223 0.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9379 -4.0616 -0.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2435 -4.0088 1.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9674 1.6016 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0633 -0.7820 -0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -0.4024 0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -1.4892 -1.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4973 2.0517 -1.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0250 2.4757 1.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0848 3.3759 -1.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6127 3.8000 1.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1425 4.2500 -0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4079 1.7199 -0.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2231 0.3762 -2.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9002 -0.7141 2.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2102 1.0157 1.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5907 0.9694 -1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2407 -0.7120 -1.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0528 -1.3425 1.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2741 -0.0973 2.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5602 0.9740 -0.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4275 0.5284 1.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2789 -0.7239 0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6713 -1.3629 -1.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8926 0.7845 1.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0528 -3.4292 -0.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -1.6786 -2.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 0.4657 1.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5034 -2.0471 0.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0035 -4.0650 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8297 -3.5833 -1.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6142 -5.1035 -0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2820 -4.0116 1.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9042 -5.0492 1.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6400 -3.4918 2.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2955 0.0467 1.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0969 -1.3401 -1.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8579 -1.9179 -2.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4515 1.3899 -1.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3876 2.1411 2.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7204 3.7272 -2.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6573 4.4809 1.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 30 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 5 25 1 0 0 0 0 6 24 1 0 0 0 0 6 29 1 0 0 0 0 6 60 1 0 0 0 0 7 22 1 0 0 0 0 7 30 1 0 0 0 0 7 61 1 0 0 0 0 8 23 1 0 0 0 0 8 25 2 0 0 0 0 9 24 2 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 13 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 20 1 0 0 0 0 16 48 1 0 0 0 0 17 21 2 0 0 0 0 17 49 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 50 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 22 2 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 23 28 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 32 2 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 31 62 1 0 0 0 0 32 34 1 0 0 0 0 32 63 1 0 0 0 0 33 35 2 0 0 0 0 33 64 1 0 0 0 0 34 36 2 0 0 0 0 34 65 1 0 0 0 0 35 36 1 0 0 0 0 35 66 1 0 0 0 0 M END > DB18083 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZVDNXHUSIKGTSF-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)N1C=NC(=C1C1=NC=C(N1)C(=O)NC1=CC=C(C=C1)N1CCN(C)CC1)C1=CC=C(F)C=C1 > InChI=1S/C27H30FN7O/c1-18(2)35-17-30-24(19-4-6-20(28)7-5-19)25(35)26-29-16-23(32-26)27(36)31-21-8-10-22(11-9-21)34-14-12-33(3)13-15-34/h4-11,16-18H,12-15H2,1-3H3,(H,29,32)(H,31,36) > ZVDNXHUSIKGTSF-UHFFFAOYSA-N > C27H30FN7O > 487.583 > 487.249586777 > 5 > 66 > 2.99894924952675 > 53.59084166613486 > 1 > 2 > 0 > 0 > 5'-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-3'-(propan-2-yl)-3H,3'H-[2,4'-biimidazole]-4-carboxamide > 2.694884142810815 > 1 > 1 > 5 > 1 > 16.90526190484911 > 7.648867944618721 > 8.701525578930301 > 82.07999999999998 > 151.88109999999992 > 6 > 1 > 5'-(4-fluorophenyl)-3'-isopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3H-[2,4'-biimidazole]-4-carboxamide > 0 $$$$