4327 -OEChem-10051720243D 47 50 0 0 0 0 0 0 0999 V2000 1.3587 0.2353 0.8333 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8515 -1.8736 0.4639 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9516 -1.8314 -0.1184 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3114 0.3803 0.0971 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4599 -0.2477 0.9896 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7896 4.8554 -0.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9240 -0.7096 0.3964 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6704 -2.5229 0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7174 -3.8082 -0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7284 -2.4905 -0.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4476 -1.8641 0.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5414 -4.4349 -0.9106 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6814 -3.7760 -0.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0132 -4.5374 -0.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2249 -0.5180 0.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7021 1.6699 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1923 -0.5501 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7248 2.6306 -0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6121 -0.1105 0.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9384 2.0736 0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7846 1.0613 1.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7995 2.3034 -1.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6777 3.9090 0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9114 1.2280 0.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6137 -1.0417 0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1302 3.2501 -1.6901 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2485 1.6089 0.2871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0936 4.5004 -1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2081 0.6106 0.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4362 -0.9026 0.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5598 -5.4364 -1.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5898 -4.2766 -1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 -2.4924 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4363 -4.7664 0.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7298 -3.9428 -1.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8866 -5.4872 -1.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7383 -2.3557 -0.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2696 3.1034 0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7794 1.2806 1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7828 1.3222 -1.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3457 4.2420 1.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1411 1.9919 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4479 -2.1088 0.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 3.0171 -2.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5307 2.6543 0.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7973 5.2740 -1.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2651 0.8552 0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 8 1 0 0 0 0 2 15 1 0 0 0 0 2 33 1 0 0 0 0 3 10 1 0 0 0 0 3 17 1 0 0 0 0 3 37 1 0 0 0 0 4 15 1 0 0 0 0 4 16 2 0 0 0 0 5 15 2 0 0 0 0 5 21 1 0 0 0 0 6 23 1 0 0 0 0 6 28 2 0 0 0 0 7 25 1 0 0 0 0 7 29 2 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 18 22 1 0 0 0 0 18 23 2 0 0 0 0 19 24 1 0 0 0 0 19 25 2 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 26 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 27 2 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 28 1 0 0 0 0 26 44 1 0 0 0 0 27 29 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 M END > DB03878 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YWQVBESSYLICRX-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC=C(NC(=O)C2=CC=CN=C2)C=C1NC1=NC=CC(=N1)C1=CC=CN=C1 > InChI=1S/C22H18N6O/c1-15-6-7-18(26-21(29)17-5-3-10-24-14-17)12-20(15)28-22-25-11-8-19(27-22)16-4-2-9-23-13-16/h2-14H,1H3,(H,26,29)(H,25,27,28) > YWQVBESSYLICRX-UHFFFAOYSA-N > C22H18N6O > 382.4179 > 382.154209228 > 6 > 47 > 0.0021353439013127576 > 40.65797514826514 > 1 > 2 > 0 > 1 > N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)pyridine-3-carboxamide > 2.81 > 3.371484282 > -4.64 > 0 > 0 > 4 > 0 > 15.594406789643491 > 12.690808647311698 > 4.334035685553038 > 92.69 > 112.17959999999998 > 5 > 1 > 8.73e-03 g/l > biotin > 0 $$$$