656612 -OEChem-05201910513D 35 36 0 1 0 0 0 0 0999 V2000 7.0569 1.4198 1.0013 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3655 -1.1678 -0.2398 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4511 -2.1672 -0.8305 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8103 2.5288 -0.2312 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1341 2.1689 1.1475 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.7757 -2.5151 0.5497 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 0.3469 -0.3977 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2517 0.6834 -2.1396 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.8503 0.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 0.4644 0.0669 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4574 0.0812 -0.3711 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1544 -2.1056 -0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9992 -1.0079 1.9317 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5863 0.8097 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0031 0.5126 -0.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8566 0.3920 0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3277 0.3794 -1.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 0.1856 -0.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1031 -1.0998 -0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 1.2899 -0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4751 1.1086 0.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2921 -1.2810 0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9780 -0.1767 0.8633 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9837 1.2326 0.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5950 -0.1914 -1.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 -2.0133 -1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8657 -2.9234 0.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1954 -2.4023 0.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2538 -0.0620 2.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1507 -1.4311 2.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8486 -1.6886 2.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3607 1.8148 0.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2088 -0.4088 -2.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3425 1.3397 -1.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9039 -0.3177 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 3 19 1 0 0 0 0 4 20 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 8 15 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 24 1 0 0 0 0 11 14 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 16 2 0 0 0 0 14 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 23 35 1 0 0 0 0 M END > DB15117 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DDVNRFNDOPPVQJ-HQJQHLMTSA-N/SDF?record_type=3d > CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCC1=C(F)C(F)=CC(F)=C1F > InChI=1S/C15H12Cl2F4O2/c1-15(2)7(3-10(16)17)11(15)14(22)23-5-6-12(20)8(18)4-9(19)13(6)21/h3-4,7,11H,5H2,1-2H3/t7-,11+/m1/s1 > DDVNRFNDOPPVQJ-HQJQHLMTSA-N > C15H12Cl2F4O2 > 371.15 > 370.0150477 > 1 > 35 > 30.499151171776795 > 1 > 0 > 0 > 1 > (2,3,5,6-tetrafluorophenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate > 4.83 > 4.766619804666666 > -4.88 > 0 > 2 > 0 > -7.096967270546354 > 26.3 > 88.90719999999999 > 5 > 1 > 4.89e-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 > 1 $$$$