10457944 -OEChem-10051721043D 65 66 0 1 0 0 0 0 0999 V2000 6.7731 0.3683 -2.2185 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0930 -1.1460 -1.3765 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9610 -1.5513 -1.5745 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8936 -2.0790 1.0585 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6631 -0.5781 2.4389 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0304 -1.6621 1.1291 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.1625 -2.9653 -0.7048 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5089 0.7288 1.1184 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6156 0.9908 0.3369 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 1.2183 0.3100 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8267 0.1960 0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0027 1.1556 -0.3007 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1359 2.2624 -0.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3619 2.2727 -1.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7499 0.6069 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2401 1.9290 1.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5126 -0.7607 -1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1694 -0.6769 1.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 0.5410 -0.9563 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8491 1.6497 0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4339 0.5811 -0.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1930 1.0641 0.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5803 -0.0164 -1.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8181 0.0210 -0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9952 -0.6109 -1.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1038 0.6609 0.7738 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6636 -1.6708 -0.3721 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.3158 0.0372 1.4860 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4782 -1.4406 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2898 0.5801 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6320 -0.0229 0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8640 -0.5921 -1.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8061 -1.0910 1.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3465 1.6234 0.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4772 3.2654 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 1.9834 -1.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8078 3.2426 -0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5079 2.1209 -2.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8998 0.1127 -0.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8685 -0.1737 0.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7778 2.2615 1.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5481 1.2662 2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8536 2.8344 1.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3582 -1.4224 -1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2676 -0.2234 -2.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3266 -1.4232 -0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2994 -1.2576 1.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9719 -1.3857 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5108 -0.0803 2.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0452 0.0536 -1.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7591 2.4297 -0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7934 2.1446 1.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5606 1.1039 0.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4125 -0.5068 -2.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7168 0.1862 -1.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7060 -1.0485 -2.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2610 0.5172 1.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2632 1.7368 0.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7341 -1.6891 -0.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2007 0.1604 2.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3485 -1.8605 1.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6086 -2.0004 1.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2003 -2.9568 -0.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2463 0.3201 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5239 1.3113 1.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 32 1 0 0 0 0 3 32 1 0 0 0 0 4 33 1 0 0 0 0 5 33 1 0 0 0 0 6 33 1 0 0 0 0 7 27 1 0 0 0 0 7 63 1 0 0 0 0 8 28 1 0 0 0 0 8 64 1 0 0 0 0 9 31 1 0 0 0 0 9 65 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 20 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 21 2 0 0 0 0 19 50 1 0 0 0 0 20 22 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 23 1 0 0 0 0 21 53 1 0 0 0 0 22 30 3 0 0 0 0 23 24 2 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 28 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 29 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 M END > DB07530 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PCHUQQNKOFNVDU-OSXMSNBXSA-N/SDF?record_type=3d > [H][C@]1(CC[C@](C)(CCC#CC(O)(C(F)(F)F)C(F)(F)F)C1(C)C)\C=C\C=C1C[C@](O)([H])C[C@@](O)([H])C1 > InChI=1S/C24H32F6O3/c1-20(2)17(8-6-7-16-13-18(31)15-19(32)14-16)9-12-21(20,3)10-4-5-11-22(33,23(25,26)27)24(28,29)30/h6-8,17-19,31-33H,4,9-10,12-15H2,1-3H3/b8-6+/t17-,18-,19-,21+/m1/s1 > PCHUQQNKOFNVDU-OSXMSNBXSA-N > C24H32F6O3 > 482.4995 > 482.22556412 > 3 > 65 > -0.7875364493787916 > 45.59355471651992 > 1 > 3 > 0 > 0 > (1R,3R)-5-[(2E)-3-[(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl]prop-2-en-1-ylidene]cyclohexane-1,3-diol > 5.22 > 4.9814749303333326 > -5.65 > 0 > -1 > 2 > -1 > 14.811642755307322 > 6.431013816764803 > -2.749516939359207 > 60.69 > 115.81649999999998 > 8 > 1 > 1.07e-03 g/l > tetrahydrofolic acid > 0 $$$$