16122802 -OEChem-10051722343D 70 72 0 1 0 0 0 0 0999 V2000 4.7381 -2.7437 0.6392 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 -1.5459 -1.0823 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3805 -3.3321 1.1523 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9886 -2.1405 -0.5711 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7159 -3.8915 -0.8489 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 2.8281 -0.1937 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3402 -2.7845 1.3169 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0957 -3.3154 0.7615 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2054 1.4549 -0.6114 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7932 0.0249 1.1762 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7666 2.5612 0.3457 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6698 2.1737 -0.8548 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3696 3.8300 0.9774 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5528 2.6825 -0.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7903 1.2621 -1.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0476 1.8073 -0.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8255 3.5924 1.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7218 2.9486 0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6139 1.4473 1.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5426 1.9278 -1.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6957 3.4727 0.1387 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6397 0.6224 -0.5822 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7355 4.8790 -0.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9701 0.3148 -0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5640 -0.8725 -0.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2021 1.7567 0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9409 -1.1736 0.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9853 -2.4969 0.9865 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9187 -1.9750 -1.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9944 -3.3232 -0.3487 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.4116 -3.6390 0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5078 1.0839 0.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3423 -1.8237 -2.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9798 -0.7897 1.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7425 -1.9805 0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9669 -2.8427 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8265 3.0743 -1.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3614 4.6548 0.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 4.1615 1.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7595 0.2216 -1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0936 1.2956 -2.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8291 2.9587 2.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2638 4.5497 1.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9649 3.7191 -0.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6648 2.7049 0.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5682 1.1595 1.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1761 0.5321 0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0431 1.7788 2.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3779 1.8027 -2.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6254 3.5659 1.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0398 -0.1354 -1.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8369 5.4520 -0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6051 5.4235 -0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8448 4.8530 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5476 1.0554 0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 1.0001 0.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2935 2.1369 1.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3066 -0.3712 0.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6520 -1.2090 -0.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4256 -2.4009 1.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6638 -4.1215 -1.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4132 -4.5583 0.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0727 -3.8291 -0.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8856 -2.6690 -2.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3443 -0.8843 -2.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3505 -3.6270 1.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1463 -4.1890 1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1406 -0.2045 1.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2429 -1.1223 2.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7898 -0.1638 0.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 4 36 1 0 0 0 0 5 36 1 0 0 0 0 6 21 1 0 0 0 0 6 26 1 0 0 0 0 7 28 1 0 0 0 0 7 66 1 0 0 0 0 8 30 1 0 0 0 0 8 67 1 0 0 0 0 9 32 2 0 0 0 0 10 32 1 0 0 0 0 10 34 1 0 0 0 0 10 68 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 19 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 37 1 0 0 0 0 13 17 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 20 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 1 0 0 0 0 16 22 2 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 21 23 1 0 0 0 0 21 50 1 0 0 0 0 22 24 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 2 0 0 0 0 24 55 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 26 32 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 31 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 33 2 0 0 0 0 30 31 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 34 35 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 35 36 1 0 0 0 0 M END > DB11786 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SVCSMAZYWOQCBW-NVJMFHFGSA-N/SDF?record_type=3d > C[C@H](OCC(=O)NCC(F)(F)C(F)(F)F)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C > InChI=1S/C26H34F5NO4/c1-15-18(11-19(33)12-22(15)34)7-6-17-5-4-10-24(3)20(8-9-21(17)24)16(2)36-13-23(35)32-14-25(27,28)26(29,30)31/h6-8,16,19,21-22,33-34H,1,4-5,9-14H2,2-3H3,(H,32,35)/b17-6+,18-7-/t16-,19+,21-,22-,24+/m0/s1 > SVCSMAZYWOQCBW-NVJMFHFGSA-N > C26H34F5NO4 > 519.553 > 519.240799394 > 4 > 70 > 50.62543067384367 > 1 > 3 > 0 > 0 > 2-[(1S)-1-[(3aS,7E,7aS)-7-{2-[(1Z,3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-3a-methyl-3a,4,5,6,7,7a-hexahydro-1H-inden-3-yl]ethoxy]-N-(2,2,3,3,3-pentafluoropropyl)acetamide > 4.84 > 2.9487807659999996 > -5.31 > 1 > 3 > 0 > 14.39338171375962 > 11.519968353478202 > -2.7596614720190384 > 78.78999999999999 > 127.31049999999998 > 8 > 0 > 2.53e-03 g/l > 2-[(1S)-1-[(3aS,4E,7aS)-4-{2-[(1Z,3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]ethoxy]-N-(2,2,3,3,3-pentafluoropropyl)acetamide > 0 $$$$