91885568 -OEChem-05201911033D 64 68 0 0 0 0 0 0 0999 V2000 -11.0731 0.3613 0.4516 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4955 -1.7001 -2.0838 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 -0.0170 -2.4853 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -0.5270 -0.1006 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7032 -0.2185 0.0907 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6734 -1.2094 0.5966 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8137 -1.2014 0.1742 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5485 1.1917 0.2729 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6842 -1.1279 -0.4725 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6726 -1.5382 0.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5186 0.6458 -0.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8176 0.9458 0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0935 -1.5444 -0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4668 -0.6762 -0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0844 -0.0693 0.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7727 -1.3734 0.7957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7773 -0.1291 -1.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6108 -1.5237 0.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6063 -0.2794 -1.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3004 -0.9767 -0.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6580 -0.5259 -0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4415 0.6362 0.6873 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1078 -0.5017 1.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3586 0.6514 1.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9570 -1.0097 -1.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4466 1.6102 0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5234 -0.6492 -1.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2048 -2.4848 0.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1475 -1.0200 0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8904 1.2997 0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1987 -0.9846 2.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7481 0.2187 0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4306 1.9242 1.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4957 2.2421 -0.9057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4634 2.8702 0.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5286 3.1881 -1.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 3.5021 -0.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2521 -2.5416 0.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7351 0.4670 -1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7041 -1.3324 1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8795 1.5347 -0.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5989 1.2279 1.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2844 1.8093 -0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0788 -1.8524 -1.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6646 -2.2955 0.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2774 -1.7983 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2905 0.4066 -2.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1399 -2.0662 1.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0769 0.1682 -2.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4645 1.4182 2.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1168 -1.6516 0.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8239 -2.3135 -0.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8038 -2.9443 0.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3720 -3.1547 -0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7405 -1.9281 0.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2705 2.3131 0.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9073 -1.9024 3.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1101 -1.1766 1.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4453 -0.2385 3.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3732 1.4387 2.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2864 2.0232 -1.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6709 3.1130 1.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5678 3.6816 -2.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7591 4.2381 -0.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 25 2 0 0 0 0 3 27 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 6 21 1 0 0 0 0 6 23 1 0 0 0 0 6 28 1 0 0 0 0 7 15 2 0 0 0 0 7 29 1 0 0 0 0 8 15 1 0 0 0 0 8 30 2 0 0 0 0 9 20 1 0 0 0 0 9 27 1 0 0 0 0 9 51 1 0 0 0 0 10 13 1 0 0 0 0 10 38 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 16 46 1 0 0 0 0 17 19 2 0 0 0 0 17 47 1 0 0 0 0 18 20 2 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 22 26 1 0 0 0 0 23 24 2 0 0 0 0 23 31 1 0 0 0 0 24 50 1 0 0 0 0 25 27 1 0 0 0 0 26 33 2 0 0 0 0 26 34 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 32 2 0 0 0 0 29 55 1 0 0 0 0 30 32 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 33 35 1 0 0 0 0 33 60 1 0 0 0 0 34 36 2 0 0 0 0 34 61 1 0 0 0 0 35 37 2 0 0 0 0 35 62 1 0 0 0 0 36 37 1 0 0 0 0 36 63 1 0 0 0 0 37 64 1 0 0 0 0 M END > DB15245 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SUFPWYYDCOKDLL-UHFFFAOYSA-N/SDF?record_type=3d > CN1C(C)=CC(=C1C(=O)C(=O)NC1=CC=C(C=C1)N1CCN(CC1)C1=NC=C(F)C=N1)C1=CC=CC=C1 > InChI=1S/C28H27FN6O2/c1-19-16-24(20-6-4-3-5-7-20)25(33(19)2)26(36)27(37)32-22-8-10-23(11-9-22)34-12-14-35(15-13-34)28-30-17-21(29)18-31-28/h3-11,16-18H,12-15H2,1-2H3,(H,32,37) > SUFPWYYDCOKDLL-UHFFFAOYSA-N > C28H27FN6O2 > 498.562 > 498.217952296 > 6 > 64 > 52.98638503315574 > 1 > 1 > 0 > 0 > 2-(1,5-dimethyl-3-phenyl-1H-pyrrol-2-yl)-N-{4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl}-2-oxoacetamide > 4.17 > 4.739398609333334 > -4.55 > 1 > 5 > 0 > 12.287209412142646 > 2.6578712439674224 > 83.36 > 144.15579999999994 > 6 > 1 > 1.42e-02 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$