156840671 -OEChem-09152317543D 76 81 0 0 0 0 0 0 0999 V2000 -3.2177 3.3678 -0.8719 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0334 -0.3945 -1.3014 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1973 0.0640 1.1712 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6519 0.9367 -0.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3746 0.6989 0.2321 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6464 1.4179 2.1707 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9573 -0.1126 0.4836 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0394 1.8885 -0.6658 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4621 -3.9840 -2.8724 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6801 -2.3873 0.5980 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7774 -3.2275 0.0639 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6370 -3.5190 -0.9898 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7420 -2.1204 -0.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9258 -1.6801 0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0238 -0.3722 0.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6562 -1.2527 -0.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8678 -4.5482 0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2619 -3.9040 -1.6281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7543 0.0552 -0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9381 0.4956 0.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6611 -3.7974 -2.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3341 -0.6723 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4323 1.3119 1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2138 0.1844 1.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3912 0.6858 -0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4459 1.7903 -0.7604 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7501 0.8180 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5985 -0.1871 0.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7914 1.7607 -0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0776 1.5308 -0.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8315 2.5878 -0.6393 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9049 3.1069 -0.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3724 3.9044 -0.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7777 -0.3325 0.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5947 -0.0835 2.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9985 -1.1854 1.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9957 4.1640 -0.7542 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5577 -1.2744 1.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8333 2.4740 -0.9526 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8805 -1.1599 0.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3174 5.0623 -0.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4036 2.0508 -0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2294 2.2958 -0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1932 -1.1365 0.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6802 -2.4721 -0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0228 -2.8490 0.8572 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7524 -2.3785 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7533 -1.6123 -1.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1447 -4.3971 0.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8720 -4.4692 0.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7610 -5.5794 -0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4415 -3.8156 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2680 -4.9439 -1.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0309 -3.2827 -2.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9674 1.5211 0.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8172 1.8593 0.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4636 -1.7030 1.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7210 2.1257 1.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 0.5050 -0.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6985 -0.3453 1.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6983 0.0817 3.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2913 0.5831 1.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8900 -1.1155 2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5690 -1.9682 1.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3111 0.8418 0.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1446 -2.0993 2.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3718 5.1831 -0.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7817 3.3822 -1.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8977 5.0498 0.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7892 6.0214 -0.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9998 5.0345 -1.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8045 -0.3536 1.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7868 -2.9164 -0.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6118 -2.0359 1.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4651 -3.1692 -0.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9695 -3.6847 1.5594 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 15 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 19 1 0 0 0 0 4 25 1 0 0 0 0 4 56 1 0 0 0 0 5 27 1 0 0 0 0 5 29 1 0 0 0 0 5 34 1 0 0 0 0 6 23 2 0 0 0 0 6 24 1 0 0 0 0 7 28 1 0 0 0 0 7 40 1 0 0 0 0 7 65 1 0 0 0 0 8 27 2 0 0 0 0 8 39 1 0 0 0 0 9 21 3 0 0 0 0 10 11 1 0 0 0 0 10 44 1 0 0 0 0 10 46 1 0 0 0 0 11 45 2 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 15 2 0 0 0 0 14 47 1 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 20 2 0 0 0 0 20 55 1 0 0 0 0 22 24 2 0 0 0 0 22 57 1 0 0 0 0 23 58 1 0 0 0 0 24 35 1 0 0 0 0 25 26 1 0 0 0 0 26 30 1 0 0 0 0 26 32 2 0 0 0 0 27 28 1 0 0 0 0 28 36 2 0 0 0 0 29 39 2 0 0 0 0 29 42 1 0 0 0 0 30 31 2 0 0 0 0 30 59 1 0 0 0 0 31 33 1 0 0 0 0 31 43 1 0 0 0 0 32 37 1 0 0 0 0 33 37 2 0 0 0 0 33 41 1 0 0 0 0 34 38 2 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 36 38 1 0 0 0 0 36 64 1 0 0 0 0 37 67 1 0 0 0 0 38 66 1 0 0 0 0 39 68 1 0 0 0 0 40 44 2 0 0 0 0 40 45 1 0 0 0 0 41 69 1 0 0 0 0 41 70 1 0 0 0 0 41 71 1 0 0 0 0 42 43 3 0 0 0 0 44 72 1 0 0 0 0 45 73 1 0 0 0 0 46 74 1 0 0 0 0 46 75 1 0 0 0 0 46 76 1 0 0 0 0 M END > DB18297 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZYJGSUKMQPXJRU-UHFFFAOYSA-N/SDF?record_type=3d > CN1C=C(NC2=CC=CN3C(=CN=C23)C#CC2=C(C)C=C(F)C(=C2)C(=O)NC2=CC(=CC(=C2)N2C=NC(C)=C2)C(C)(C)C#N)C=N1 > InChI=1S/C35H30FN9O/c1-22-11-31(36)30(34(46)42-26-13-25(35(3,4)20-37)14-29(15-26)44-18-23(2)39-21-44)12-24(22)8-9-28-17-38-33-32(7-6-10-45(28)33)41-27-16-40-43(5)19-27/h6-7,10-19,21,41H,1-5H3,(H,42,46) > ZYJGSUKMQPXJRU-UHFFFAOYSA-N > C35H30FN9O > 611.685 > 611.255734785 > 6 > 76 > 3.000010779085791 > 66.43947557274858 > 0 > 2 > 0 > 0 > N-[3-(1-cyano-1-methylethyl)-5-(4-methyl-1H-imidazol-1-yl)phenyl]-2-fluoro-4-methyl-5-(2-{8-[(1-methyl-1H-pyrazol-4-yl)amino]imidazo[1,2-a]pyridin-3-yl}ethynyl)benzamide > 5.105646265666667 > 1 > 0 > 6 > 0 > 14.910945506703143 > 14.29261180415464 > 6.206031611416076 > 117.85999999999999 > 193.73349999999996 > 8 > 0 > N-[3-(1-cyano-1-methylethyl)-5-(4-methylimidazol-1-yl)phenyl]-2-fluoro-4-methyl-5-(2-{8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyridin-3-yl}ethynyl)benzamide > 0 $$$$