11954353 -OEChem-09011819503D 61 64 0 1 0 0 0 0 0999 V2000 -1.7196 -0.5705 1.8013 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.5277 2.5900 0.0592 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3714 -1.6654 -1.8216 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4156 1.3721 -0.9738 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7491 -0.7668 -0.0433 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5205 -1.6681 1.4645 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0104 -2.6263 1.3025 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3276 0.4978 -0.3552 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1967 1.4039 0.1747 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1828 1.0536 -0.4069 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5747 -0.4377 -0.0534 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5105 1.1161 0.4332 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7603 2.8121 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0026 -0.9593 0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2637 2.6484 0.3398 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4076 -1.4257 -0.4180 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0128 -0.7963 -0.6505 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2578 2.0599 0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5631 0.6129 -1.8842 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6437 1.7033 -0.4866 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0118 0.2726 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8578 0.7218 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6351 3.3561 1.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0720 -0.8051 -2.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4461 -2.1960 -0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1323 -0.0198 0.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4823 -0.5118 0.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5626 -2.4850 0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4886 -1.4125 0.8527 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4179 -1.8644 0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7394 -2.0100 -0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1289 1.2712 1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1174 1.1442 -1.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4605 0.8129 1.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6396 3.1566 -1.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2589 3.5379 0.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0807 -1.0754 1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7521 -1.6296 -0.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8467 3.1153 -0.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5962 -2.4020 0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0053 3.0653 -0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2898 2.1460 1.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 -0.1212 -2.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6574 0.4378 -2.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 1.5994 -2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6829 1.8611 -1.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6945 3.2072 1.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4557 4.4331 1.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0446 2.9813 2.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6106 -1.6990 -2.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1117 -0.8054 -2.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5857 0.0647 -2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8064 -3.0270 -0.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3092 -2.3387 -1.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8192 0.7512 0.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8279 -1.3684 0.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5940 -0.3342 1.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8170 -3.5062 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3543 -1.1262 -0.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5820 -2.1493 -1.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2606 -2.8875 0.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 20 1 0 0 0 0 3 16 1 0 0 0 0 3 54 1 0 0 0 0 4 22 2 0 0 0 0 5 27 1 0 0 0 0 5 30 1 0 0 0 0 6 29 2 0 0 0 0 7 30 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 14 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 32 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 33 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 23 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 17 21 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 18 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 21 26 2 0 0 0 0 22 27 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 28 2 0 0 0 0 25 53 1 0 0 0 0 26 29 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 29 1 0 0 0 0 28 58 1 0 0 0 0 30 31 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 M END > DB14652 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ARPLCFGLEYFDCN-CDACMRRYSA-N/SDF?record_type=3d > [H][C@@]12C[C@@H](C)[C@H](C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C > InChI=1S/C24H30ClFO5/c1-12-7-15-16-9-18(26)17-8-14(28)5-6-23(17,4)24(16,25)20(30)10-22(15,3)21(12)19(29)11-31-13(2)27/h5-6,8,12,15-16,18,20-21,30H,7,9-11H2,1-4H3/t12-,15+,16+,18+,20+,21-,22+,23+,24+/m1/s1 > ARPLCFGLEYFDCN-CDACMRRYSA-N > C24H30ClFO5 > 452.95 > 452.1765799 > 4 > 61 > 46.15541562392019 > 1 > 1 > 0 > 1 > 2-[(1S,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-9b-chloro-5-fluoro-10-hydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate > 3.25 > 2.9159472719999986 > -5.06 > 0 > 4 > 0 > 15.0052058294855 > 13.827569177821708 > -3.2959354725531798 > 80.66999999999999 > 114.88789999999999 > 4 > 1 > 3.94e-03 g/l > clocortolone acetate > 0 $$$$