135565709 -OEChem-05201910323D 62 67 0 0 0 0 0 0 0999 V2000 -1.9108 -2.1479 -1.4635 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.9595 1.0086 0.1323 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9219 -0.5668 -0.2237 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3994 3.6242 -0.3694 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7122 -0.5978 0.0214 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8454 2.3572 -0.3564 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7316 0.6455 -0.5124 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6772 -4.2416 -0.0195 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2003 3.9384 1.0888 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5716 2.4404 -0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7307 1.6398 -0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0432 3.7433 -0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7709 0.1661 -0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5728 -1.7519 -0.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3384 3.3274 0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1938 2.2192 0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1984 -1.8848 0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5814 -1.8896 -0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3806 -1.0119 -1.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 4.8620 -0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0812 3.1228 0.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5263 -3.1042 0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8389 4.6256 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8447 -3.0771 -1.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3081 -2.0133 1.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0860 0.3397 -0.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7019 1.9730 -0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 1.8048 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 -3.1457 0.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3245 -3.0585 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3294 -4.2383 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 4.0668 0.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7685 2.8077 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2702 -2.6152 -0.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -3.7187 1.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1156 -2.6576 -0.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -3.7610 1.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6737 -3.2307 0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4699 -1.1259 -0.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8309 1.2042 0.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4915 -1.6520 -0.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5777 -0.8237 -2.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8571 -0.2004 -0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5983 5.8688 -0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1888 5.4975 -0.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0770 4.3682 -0.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7105 -3.5859 -0.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0563 -2.9056 -2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2080 -1.0858 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1368 -2.5756 1.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9837 -3.7507 -1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3933 -2.5990 1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1526 1.2034 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3993 -3.0864 -0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1292 -0.0236 -0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8968 -5.2317 0.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4661 4.9791 1.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8315 2.7856 0.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6829 -2.1694 -1.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1677 -4.1339 2.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2806 -4.2058 2.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7527 -3.2625 0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 26 2 0 0 0 0 3 13 1 0 0 0 0 3 18 1 0 0 0 0 3 43 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 46 1 0 0 0 0 5 13 2 0 0 0 0 5 17 1 0 0 0 0 6 11 2 0 0 0 0 7 26 1 0 0 0 0 7 28 1 0 0 0 0 7 55 1 0 0 0 0 8 30 2 0 0 0 0 8 31 1 0 0 0 0 9 32 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 12 20 1 0 0 0 0 14 19 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 15 23 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 30 1 0 0 0 0 19 26 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 23 2 0 0 0 0 20 44 1 0 0 0 0 21 27 2 0 0 0 0 21 32 1 0 0 0 0 22 29 1 0 0 0 0 22 31 2 0 0 0 0 23 45 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 51 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 33 2 0 0 0 0 29 34 2 0 0 0 0 29 35 1 0 0 0 0 30 54 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 34 36 1 0 0 0 0 34 59 1 0 0 0 0 35 37 2 0 0 0 0 35 60 1 0 0 0 0 36 38 2 0 0 0 0 37 38 1 0 0 0 0 37 61 1 0 0 0 0 38 62 1 0 0 0 0 M END > DB14883 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AQDWDWAYVBQMAM-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)CC(=O)NC1=CC(=CN=C1)C1=CC2=C(NN=C2C2=NC3=C(C=NC=C3N2)C2=CC=CC(F)=C2)C=C1 > InChI=1S/C29H24FN7O/c1-16(2)8-26(38)33-21-10-19(12-31-13-21)17-6-7-24-22(11-17)28(37-36-24)29-34-25-15-32-14-23(27(25)35-29)18-4-3-5-20(30)9-18/h3-7,9-16H,8H2,1-2H3,(H,33,38)(H,34,35)(H,36,37) > AQDWDWAYVBQMAM-UHFFFAOYSA-N > C29H24FN7O > 505.557 > 505.202636584 > 5 > 62 > 53.539766744578124 > 1 > 3 > 0 > 0 > N-(5-{3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl}pyridin-3-yl)-3-methylbutanamide > 4.52 > 4.6648282283333335 > -5.18 > 1 > 6 > 0 > 12.319779068485255 > 8.455946826554252 > 4.806134943652929 > 112.24000000000001 > 154.52769999999992 > 6 > 0 > 3.36e-03 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 $$$$