71386 -OEChem-10051723023D 65 68 0 1 0 0 0 0 0999 V2000 -4.9547 -1.1933 -2.7733 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8397 1.1591 -0.1617 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5519 0.7108 -0.0546 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 -1.1618 -2.5236 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2960 -1.9898 0.0047 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6764 0.5623 0.8326 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6117 2.4355 -0.1086 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8837 -1.0698 -0.1669 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0996 -0.5239 1.0527 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4029 -0.8477 0.9963 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3316 -0.6751 0.2424 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0165 -0.2018 -0.2905 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9091 -1.0354 2.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3817 -0.8520 1.7921 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3243 -0.3885 -1.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5653 -0.4328 -0.3985 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1221 -0.3483 2.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1748 -0.6500 -1.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7612 -2.6103 -0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6266 -0.5848 2.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1955 0.0243 0.9257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4157 -1.3382 -0.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2477 -1.9933 2.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 -1.9152 -0.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1357 0.3530 -1.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 0.9472 1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3388 -1.1480 -2.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7774 1.1970 0.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1012 1.2739 -1.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7037 1.6154 -0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8478 2.6587 -0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2035 3.2729 0.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2514 4.7499 -0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1883 0.5745 1.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5294 -1.9352 0.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6736 -2.0829 2.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 -0.4587 3.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7206 0.0668 2.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4661 0.6975 -1.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7724 -0.7780 -2.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7315 -0.8637 3.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9259 0.7221 2.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3163 -2.9665 -1.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2731 -2.9331 -0.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1392 -3.1612 0.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8414 -1.6593 2.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0956 -0.1626 3.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0400 -2.9488 1.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0394 -2.1450 3.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3152 -1.7603 2.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6398 -2.2749 -1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0272 -2.0605 -0.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4843 -2.5844 0.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7503 0.1370 -2.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5833 1.2520 1.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7515 -1.9449 -2.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9285 -0.1732 -2.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4697 1.7830 -2.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0546 3.1881 0.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6647 2.7423 -1.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9989 2.7433 -0.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4111 3.1525 1.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2310 5.1687 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4906 5.3112 0.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0812 4.9012 -1.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 12 1 0 0 0 0 3 11 1 0 0 0 0 3 28 1 0 0 0 0 4 18 2 0 0 0 0 5 22 2 0 0 0 0 6 28 2 0 0 0 0 7 30 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 10 35 1 0 0 0 0 11 14 1 0 0 0 0 11 22 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 23 1 0 0 0 0 14 38 1 0 0 0 0 15 18 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 21 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 17 20 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 26 2 0 0 0 0 22 27 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 29 2 0 0 0 0 25 54 1 0 0 0 0 26 30 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 31 32 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 M END > DBSALT001967 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FBRAWBYQGRLCEK-AVVSTMBFSA-N/SDF?record_type=3d > [H][C@]1(C)C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@]2(C)[C@@]1(OC(=O)CCC)C(=O)CCl > InChI=1S/C26H32ClFO5/c1-5-6-22(32)33-26(21(31)14-27)15(2)11-19-18-8-7-16-12-17(29)9-10-23(16,3)25(18,28)20(30)13-24(19,26)4/h9-10,12,15,18-19H,5-8,11,13-14H2,1-4H3/t15-,18-,19-,23-,24-,25-,26-/m0/s1 > FBRAWBYQGRLCEK-AVVSTMBFSA-N > C26H32ClFO5 > 478.99 > 478.19223 > 4 > 65 > 49.5189865926075 > 1 > 0 > 0 > 1 > (1R,2S,10S,11S,13S,14R,15S)-14-(2-chloroacetyl)-1-fluoro-2,13,15-trimethyl-5,17-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl butanoate > 3.77 > 5.185919163666667 > -5.44 > 1 > 4 > 0 > 16.433922131681744 > 15.088956196963718 > -5.600518303926121 > 77.51 > 123.10099999999994 > 6 > 0 > 1.74e-03 g/l > eumovate > 0 $$$$