59691338 -OEChem-09262214363D 61 64 0 1 0 0 0 0 0999 V2000 7.0581 -1.3142 -1.6195 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2159 -2.0240 0.0875 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9810 0.1204 -0.2606 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.3904 -1.9360 0.2933 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2107 -0.0602 0.0283 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6887 -0.6315 1.6506 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8953 -0.1700 -0.0404 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2632 1.0676 0.1271 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 1.6401 0.3608 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7820 0.7284 -0.1041 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7308 1.2208 -0.2137 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0469 -0.2361 0.2603 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4570 -0.7194 -0.2434 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4971 -0.6893 0.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 1.4484 0.5916 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8736 -1.2014 -0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1496 3.0473 0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8382 2.1948 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5260 0.3172 0.2321 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6590 2.9472 0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2161 1.7365 -0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9885 0.7008 -1.6414 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4795 -0.9037 -1.7793 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8540 -2.0507 0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1213 -2.3825 0.6472 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2476 -1.4811 0.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8769 0.7171 -0.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 0.0591 0.6934 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0989 -1.0734 0.5137 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3518 -1.0720 -0.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4589 1.5591 1.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6756 1.2459 -1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1002 -0.2064 1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5101 -0.7049 1.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2797 -1.3836 0.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9199 1.2465 1.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8276 -1.3861 -1.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0384 -2.1760 0.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3278 3.7946 0.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0229 3.3450 -0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6397 3.1907 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8477 2.3035 1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4829 0.3621 1.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2275 3.3707 -0.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9280 3.5213 1.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9553 2.4471 0.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2736 1.7915 -1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2455 1.6839 -2.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1034 0.3560 -2.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8048 0.0193 -1.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1645 -0.0044 -2.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4826 -1.1534 -2.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8226 -1.7213 -2.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0879 -2.7904 0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6421 1.5358 -0.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3666 -3.3548 1.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0571 1.5654 0.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8255 0.1986 -0.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5017 1.0598 -1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6087 -2.0507 0.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3516 -0.8666 1.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 30 1 0 0 0 0 3 30 1 0 0 0 0 4 26 2 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 28 2 0 0 0 0 7 19 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 15 1 0 0 0 0 8 28 1 0 0 0 0 8 55 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 9 31 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 33 1 0 0 0 0 13 19 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 20 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 21 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 2 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 M END > DB17016 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OGBFNZPDLOPGEO-OCWMMRLVSA-N/SDF?record_type=3d > [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])N(C)C(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)N=C(O)OCC(F)(F)F > InChI=1S/C22H31F3N2O3/c1-20-10-8-15-13(4-7-17-21(15,2)11-9-18(28)27(17)3)14(20)5-6-16(20)26-19(29)30-12-22(23,24)25/h9,11,13-17H,4-8,10,12H2,1-3H3,(H,26,29)/t13-,14-,15-,16-,17+,20-,21+/m0/s1 > OGBFNZPDLOPGEO-OCWMMRLVSA-N > C22H31F3N2O3 > 428.496 > 428.228677355 > 4 > 61 > 0.00026173466470933777 > 43.79003232288099 > 1 > 1 > 0 > 1 > N-[(4aR,4bS,6aS,7S,9aS,9bS,11aR)-1,4a,6a-trimethyl-2-oxo-1H,2H,4aH,4bH,5H,6H,6aH,7H,8H,9H,9aH,9bH,10H,11H,11aH-indeno[5,4-f]quinolin-7-yl](2,2,2-trifluoroethoxy)carboximidic acid > 3.99 > 4.4458290479999985 > -5.27 > 0 > 0 > 4 > 0 > 3.7567745581209104 > 1.696902311084433 > 62.13000000000001 > 106.8094 > 4 > 1 > 2.33e-03 g/l > 6-cyclopropaneamido-N-[hydroxy(2H2)methyl]-4-{[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]amino}pyridazine-3-carboxamide > 0 $$$$