11556427 -OEChem-10061700073D 69 72 0 1 0 0 0 0 0999 V2000 5.1088 2.3236 -2.3718 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7007 2.2662 -0.8998 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7350 0.8961 -2.5881 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0122 -3.3088 2.1106 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6734 -3.2430 0.7177 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6198 -1.8747 2.4070 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.0276 -4.0393 -1.4601 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4285 5.9902 0.0433 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0618 5.3678 2.0885 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4907 5.1736 0.5975 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9602 -1.8264 -0.1138 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1084 -2.6243 0.4512 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9305 -0.5266 -2.1783 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4454 -0.4337 0.9352 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8009 0.2960 0.8741 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5255 -0.5000 -0.2156 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6311 0.0925 1.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 -0.4963 -0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4918 0.3019 2.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2963 -1.7102 0.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.2509 0.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1737 1.0629 -0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7141 -1.4396 0.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7463 0.4501 -0.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7774 2.5379 1.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1085 -1.4365 0.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1408 0.4532 -0.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6456 -0.2638 -0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6958 2.1619 -0.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2997 3.6370 0.4548 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8219 -0.4902 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7494 -0.7879 0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2587 3.4490 -0.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2188 -2.0625 -0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3992 -2.6206 0.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0112 -1.0143 -1.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9038 1.4649 -1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8366 -2.4458 1.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5845 -2.8130 -1.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8326 5.0132 0.7894 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4808 -2.2888 -1.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1431 -2.7846 2.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6750 -1.7878 0.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3529 -1.3702 -3.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6454 1.3249 0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2081 -0.1390 -1.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3616 0.3992 2.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3595 -0.7134 1.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8842 0.8367 2.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6446 -0.7116 2.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4588 0.8125 2.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1603 -2.1766 1.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2088 1.1841 -1.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 2.6926 1.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4442 2.0342 -1.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9090 -0.4880 -0.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2406 -0.1990 0.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6771 4.2924 -1.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6155 -3.6255 0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 -2.9318 -2.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9968 -1.8202 2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2497 -3.3933 2.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9915 -3.2829 2.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5905 -0.7833 0.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5392 -2.2758 0.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8842 -1.6797 -0.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9474 -2.2903 -2.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0512 -1.5659 -3.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5053 -0.8254 -3.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 37 1 0 0 0 0 3 37 1 0 0 0 0 4 38 1 0 0 0 0 5 38 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 8 40 1 0 0 0 0 9 40 1 0 0 0 0 10 40 1 0 0 0 0 11 16 1 0 0 0 0 11 20 1 0 0 0 0 12 20 2 0 0 0 0 13 36 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 45 1 0 0 0 0 16 18 1 0 0 0 0 16 46 1 0 0 0 0 17 21 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 28 1 0 0 0 0 22 29 1 0 0 0 0 23 26 1 0 0 0 0 23 52 1 0 0 0 0 24 27 2 0 0 0 0 24 53 1 0 0 0 0 25 30 2 0 0 0 0 25 54 1 0 0 0 0 26 31 2 0 0 0 0 26 38 1 0 0 0 0 27 31 1 0 0 0 0 27 37 1 0 0 0 0 28 32 2 0 0 0 0 28 36 1 0 0 0 0 29 33 2 0 0 0 0 29 55 1 0 0 0 0 30 33 1 0 0 0 0 30 40 1 0 0 0 0 31 56 1 0 0 0 0 32 34 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 34 35 1 0 0 0 0 34 39 2 0 0 0 0 35 42 1 0 0 0 0 35 43 1 0 0 0 0 35 59 1 0 0 0 0 36 41 2 0 0 0 0 39 41 1 0 0 0 0 41 60 1 0 0 0 0 42 61 1 0 0 0 0 42 62 1 0 0 0 0 42 63 1 0 0 0 0 43 64 1 0 0 0 0 43 65 1 0 0 0 0 43 66 1 0 0 0 0 44 67 1 0 0 0 0 44 68 1 0 0 0 0 44 69 1 0 0 0 0 M END > DB06630 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MZZLGJHLQGUVPN-HAWMADMCSA-N/SDF?record_type=3d > COC1=CC(F)=C(C=C1C1=CC=C(C=C1CN1[C@@H](C)[C@H](OC1=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C > InChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1 > MZZLGJHLQGUVPN-HAWMADMCSA-N > C30H25F10NO3 > 637.518 > 637.167475299 > 2 > 69 > 54.1776454717134 > 0 > 0 > 0 > 0 > (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-2'-methoxy-5'-(propan-2-yl)-4-(trifluoromethyl)-[1,1'-biphenyl]-2-yl]methyl}-4-methyl-1,3-oxazolidin-2-one > 6.77 > 9.300928953666668 > -5.52 > 1 > 4 > 0 > -4.852926023202049 > 38.769999999999996 > 141.1558 > 9 > 0 > 1.92e-03 g/l > anacetrapib > 1 $$$$