54766013 -OEChem-05201911123D 48 52 0 0 0 0 0 0 0999 V2000 -4.8218 1.3215 2.1791 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7763 -1.6162 -0.5532 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5534 0.5581 -0.9466 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0945 2.6819 0.2934 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5662 0.1905 -0.0131 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5692 -1.8898 0.6867 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3402 3.7648 1.0733 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 3.3471 -0.2743 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6652 0.0071 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -1.3407 -0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3997 -0.4460 -0.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8867 0.8340 -0.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 -0.3937 -1.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5197 -2.3474 -0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9509 1.8812 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0478 0.5826 -1.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2076 2.4513 -0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1503 1.3530 -1.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3553 -3.6707 -0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9415 0.3007 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4971 -2.8056 1.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3306 -4.5832 -0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4252 -4.1505 0.7187 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5567 0.8734 1.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7159 -0.1625 -1.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5673 4.1162 0.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6591 -2.3062 1.8367 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9463 0.9829 1.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1057 -0.0531 -0.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7209 0.5196 0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2255 -2.5156 -0.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0255 0.2052 -2.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2214 -1.4081 -1.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1462 2.1528 0.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9994 -0.2541 -2.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0342 0.5478 0.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9967 1.1481 -2.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5078 -4.0121 -0.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2392 -5.6292 -0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1929 -4.8528 1.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2821 -0.6116 -1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0632 4.9659 1.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6967 -2.8025 2.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 -1.2275 2.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5948 -2.4958 1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4250 1.4288 2.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7094 -0.4129 -1.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8029 0.6051 0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 31 1 0 0 0 0 3 9 1 0 0 0 0 3 11 2 0 0 0 0 4 7 1 0 0 0 0 4 15 1 0 0 0 0 4 17 1 0 0 0 0 5 13 1 0 0 0 0 5 20 1 0 0 0 0 5 36 1 0 0 0 0 6 14 1 0 0 0 0 6 21 2 0 0 0 0 7 26 2 0 0 0 0 8 17 2 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 19 2 0 0 0 0 15 34 1 0 0 0 0 16 18 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 18 37 1 0 0 0 0 19 22 1 0 0 0 0 19 38 1 0 0 0 0 20 24 1 0 0 0 0 20 25 2 0 0 0 0 21 23 1 0 0 0 0 21 27 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 28 2 0 0 0 0 25 29 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 30 1 0 0 0 0 28 46 1 0 0 0 0 29 30 2 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 M END > DB15310 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FJCDSQATIJKQKA-UHFFFAOYSA-N/SDF?record_type=3d > CC1=NC(=CC=C1)C1=C(N=C(CNC2=C(F)C=CC=C2)N1)C1=CN2N=CN=C2C=C1 > InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29) > FJCDSQATIJKQKA-UHFFFAOYSA-N > C22H18FN7 > 399.433 > 399.160771771 > 5 > 48 > 42.499255868993394 > 1 > 2 > 0 > 1 > 2-fluoro-N-{[5-(6-methylpyridin-2-yl)-4-{[1,2,4]triazolo[1,5-a]pyridin-6-yl}-1H-imidazol-2-yl]methyl}aniline > 3.88 > 3.3593069659999992 > -4.63 > 0 > 5 > 0 > 14.81958633177224 > 10.770075692215089 > 4.585008358773501 > 83.79 > 123.89680000000003 > 5 > 1 > 9.36e-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 $$$$