6442842 -OEChem-05201910453D 51 53 0 1 0 0 0 0 0999 V2000 5.7020 0.5347 -0.7829 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7854 -2.0293 -1.7242 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6961 -2.4873 -1.2973 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2412 -2.9974 0.1472 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 1.5500 -0.2788 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6452 1.0677 -1.3292 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2783 1.1434 2.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6009 0.8442 1.5499 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6618 1.8196 0.9152 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1766 0.1386 2.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2943 1.9171 3.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8270 -0.4303 0.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0002 1.4353 -0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6843 -0.6988 -0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 1.2025 -1.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8514 -2.0434 -0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5398 1.3797 -1.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3192 0.3356 -0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1243 2.6155 -1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 0.5249 -0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -0.9864 -0.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4881 2.8072 -1.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2676 1.7630 -0.7687 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5171 -0.5400 0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1529 -1.4172 -0.8525 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6821 -0.6904 1.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9535 -2.4450 -0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4827 -1.7182 1.9011 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1184 -2.5956 1.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4844 1.2527 2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9529 2.8645 0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1751 -0.4881 1.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2458 -0.5451 2.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2006 0.6332 2.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3419 2.4375 3.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4554 1.2505 4.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0873 2.6731 3.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2682 -1.2830 1.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2389 1.8621 -2.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1683 0.1827 -1.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5292 3.4393 -1.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5531 -1.5527 -1.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7035 -0.8638 0.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2468 -1.6096 0.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9430 3.7697 -1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3292 1.9319 -0.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0342 -1.3146 -1.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1929 -0.0159 2.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4482 -3.1283 -1.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6109 -1.8357 2.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7416 -3.3960 1.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 4 16 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 6 13 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 30 1 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 2 0 0 0 0 12 38 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 41 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 47 1 0 0 0 0 26 28 2 0 0 0 0 26 48 1 0 0 0 0 27 29 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 M END > DB15056 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OMFRMAHOUUJSGP-IRHGGOMRSA-N/SDF?record_type=3d > CC1=C(C=CC=C1COC(=O)[C@@H]1[C@H](\C=C(/Cl)C(F)(F)F)C1(C)C)C1=CC=CC=C1 > InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20-/m0/s1 > OMFRMAHOUUJSGP-IRHGGOMRSA-N > C23H22ClF3O2 > 422.87 > 422.1260421 > 1 > 51 > 40.650146183799 > 1 > 0 > 0 > 0 > {2-methyl-[1,1'-biphenyl]-3-yl}methyl (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate > 5.71 > 6.589955610333334 > -6.98 > 1 > 3 > 0 > -7.096552843549804 > 26.3 > 109.14160000000004 > 7 > 0 > 4.40e-05 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 > 1 $$$$