HMDB0256380 RDKit 3D 8-(5-Chloro-2-(4-methylpiperazin-1-yl)isonicotinamido)-1-(4-fluorophenyl)-4,5... 67 72 0 0 0 0 0 0 0 0999 V2000 8.0781 2.7026 0.9448 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7262 2.1839 1.1370 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0090 2.1320 -0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2098 0.9421 -0.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4073 -0.2103 0.4399 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4629 -1.2703 0.4944 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3101 -1.3087 -0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4052 -2.3483 -0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 -2.3538 -0.9854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 -2.8903 -2.1101 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0222 -1.8065 -0.5297 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2573 -1.7572 -1.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5318 -2.4749 -2.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 -2.4038 -2.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7375 -1.5677 -2.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4778 -0.8463 -1.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2681 -0.9199 -0.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 0.0367 -0.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7185 0.1056 -1.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4831 0.9999 -0.7065 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8471 1.4007 -1.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5081 2.3369 -0.1521 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4227 0.9218 -2.0147 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7336 1.4111 0.3127 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5108 0.8230 0.2759 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5777 1.1329 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4709 0.4470 2.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5624 0.7786 3.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7098 1.8435 3.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8013 2.2137 4.1517 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 2.5549 2.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 2.2061 1.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0701 -0.6292 -2.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0295 -1.5061 -3.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6835 -3.3943 0.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5975 -4.7628 0.8406 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8469 -3.3589 1.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6959 -2.3226 1.3193 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6413 -0.2670 1.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7013 1.0323 1.9742 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0501 3.7702 0.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6646 2.6509 1.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6303 2.1480 0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3358 3.0405 -0.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7339 2.3168 -0.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1021 1.1704 -0.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3665 0.6073 -1.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 -0.4935 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0085 -1.3737 0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7768 -3.1491 -2.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 -2.9639 -3.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0341 -0.3807 0.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7309 2.0910 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7455 3.2530 -0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1230 -0.3869 2.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4972 0.2242 4.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1271 3.3832 1.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7849 2.7478 0.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4149 0.0582 -3.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9969 -1.2616 -2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7763 -1.2333 -4.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3812 -2.5862 -3.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1108 -4.1594 2.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4664 -0.3280 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6176 -1.0923 1.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8348 1.1021 2.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6175 1.0388 2.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 2 0 20 24 2 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 29 31 1 0 31 32 2 0 19 33 1 0 33 34 1 0 8 35 2 0 35 36 1 0 35 37 1 0 37 38 2 0 5 39 1 0 39 40 1 0 40 2 1 0 38 6 1 0 17 12 1 0 25 18 1 0 32 26 1 0 34 15 1 0 1 41 1 0 1 42 1 0 1 43 1 0 3 44 1 0 3 45 1 0 4 46 1 0 4 47 1 0 7 48 1 0 11 49 1 0 13 50 1 0 14 51 1 0 17 52 1 0 22 53 1 0 22 54 1 0 27 55 1 0 28 56 1 0 31 57 1 0 32 58 1 0 33 59 1 0 33 60 1 0 34 61 1 0 34 62 1 0 37 63 1 0 39 64 1 0 39 65 1 0 40 66 1 0 40 67 1 0 M END