11678534 -OEChem-05201911033D 62 65 0 1 0 0 0 0 0999 V2000 -1.4149 -3.4345 -0.0477 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 -4.9353 -1.4553 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1472 -2.9932 -1.3472 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.3611 1.4463 1.3835 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 -3.1413 -2.2888 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0043 2.4789 -1.6151 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9736 -1.2352 2.4931 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4719 -2.0570 2.1639 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6517 -0.2899 3.3379 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1224 1.4470 -0.8842 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1192 0.1547 -1.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0596 2.1148 -0.7063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5049 0.0020 -1.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0851 1.2467 -1.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3916 2.0003 -0.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7738 -0.8802 -1.5921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0272 -1.2436 -1.7764 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1136 3.5286 -0.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4808 1.5799 -0.9334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2327 -2.1068 -1.9876 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2538 1.4408 0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1459 -2.2879 -2.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7943 3.1120 -1.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5186 1.9929 0.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4057 0.8358 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 3.6640 -1.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9212 3.1045 -0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 0.0836 1.1898 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7500 0.6889 -0.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9244 0.2872 1.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2547 -0.0044 1.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6131 -0.0064 0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7874 -0.4082 2.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1318 -0.5549 1.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0378 0.4879 2.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2300 -0.7360 2.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9486 -3.6102 -1.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4149 -1.7719 3.6912 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8481 -0.7390 -1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0988 -1.4026 -1.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9459 4.2057 -1.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3818 3.7460 0.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0958 3.7706 0.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9361 0.5876 0.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5495 -3.2488 -2.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1472 3.5524 -2.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3746 4.5265 -1.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9061 3.5375 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2683 -0.3251 0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1438 1.1026 -1.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8853 0.3975 1.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5522 0.6036 0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5502 -1.0382 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6590 -0.1192 0.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3485 -0.8063 2.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7995 1.5308 2.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8272 -0.1193 3.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1126 0.4259 2.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1363 -2.6031 2.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0434 -0.9809 4.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6504 -2.5262 3.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2240 -2.2805 4.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 37 1 0 0 0 0 3 37 1 0 0 0 0 4 24 1 0 0 0 0 4 28 1 0 0 0 0 5 20 1 0 0 0 0 5 37 1 0 0 0 0 6 19 2 0 0 0 0 7 34 1 0 0 0 0 7 38 1 0 0 0 0 8 36 1 0 0 0 0 8 59 1 0 0 0 0 9 36 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 19 1 0 0 0 0 15 21 2 0 0 0 0 15 23 1 0 0 0 0 16 20 2 0 0 0 0 16 39 1 0 0 0 0 17 22 2 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 25 1 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 26 2 0 0 0 0 23 46 1 0 0 0 0 24 27 2 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 31 1 0 0 0 0 28 36 1 0 0 0 0 28 49 1 0 0 0 0 29 32 1 0 0 0 0 29 50 1 0 0 0 0 30 33 2 0 0 0 0 30 51 1 0 0 0 0 31 35 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 32 34 2 0 0 0 0 32 54 1 0 0 0 0 33 34 1 0 0 0 0 33 55 1 0 0 0 0 35 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 38 60 1 0 0 0 0 38 61 1 0 0 0 0 38 62 1 0 0 0 0 M END > DB15242 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/STWITCBWQHTJFJ-XMMPIXPASA-N/SDF?record_type=3d > CC[C@@H](OC1=CC(=CC=C1)N1C(C)=C(C(=O)C2=CC=C(OC)C=C2)C2=CC=C(OC(F)(F)F)C=C12)C(O)=O > InChI=1S/C28H24F3NO6/c1-4-24(27(34)35)37-20-7-5-6-18(14-20)32-16(2)25(26(33)17-8-10-19(36-3)11-9-17)22-13-12-21(15-23(22)32)38-28(29,30)31/h5-15,24H,4H2,1-3H3,(H,34,35)/t24-/m1/s1 > STWITCBWQHTJFJ-XMMPIXPASA-N > C28H24F3NO6 > 527.496 > 527.155571986 > 6 > 62 > 51.636378648538724 > 0 > 1 > 0 > 0 > (2R)-2-{3-[3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl]phenoxy}butanoic acid > 5.40 > 7.297595684333334 > -6.14 > 1 > 4 > -1 > 3.7764112360499484 > -4.495013311664737 > 86.99000000000001 > 138.96250000000003 > 10 > 0 > 3.78e-04 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 $$$$