44511497 -OEChem-02231815363D 57 60 0 1 0 0 0 0 0999 V2000 -0.6240 -1.8827 -8.3801 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4726 -1.8380 -10.2698 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2848 -0.5623 -10.0246 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1086 1.7670 -3.7431 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2537 -1.3782 5.4409 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0436 0.0444 8.6995 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0771 -0.1724 7.1406 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7434 1.7784 10.1583 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6414 -0.0505 -8.9021 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0513 0.1562 0.1100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9378 1.0457 8.7535 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0289 0.8093 -2.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2912 0.7141 -1.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1447 1.2351 -1.7515 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1826 -0.2273 -0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2513 0.2975 -0.5515 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1017 -0.2298 1.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -1.0491 1.9834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1502 0.2040 2.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2411 -0.6423 7.7197 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0774 1.3159 -5.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8724 -0.4731 6.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2037 -1.0013 4.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -1.4349 3.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2012 -0.1818 3.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1012 -2.1019 8.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0824 0.0778 7.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 0.7532 -5.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9545 1.4192 -5.9564 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3098 1.0361 9.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4884 0.2941 -6.6974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 0.9601 -7.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4565 0.3975 -7.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2144 -1.0800 -9.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2626 -0.1881 -3.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5928 1.7142 -1.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0865 0.3751 -2.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1024 1.2732 -2.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9562 2.2604 -1.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 -1.2590 -1.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1355 -0.2007 -0.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9957 0.7173 0.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6109 -0.6849 -0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7185 -1.4184 1.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9323 0.8499 1.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9454 -0.6971 6.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7598 0.5741 6.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6229 -2.0758 3.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0483 0.1565 4.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5974 -2.6488 7.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2665 -2.1847 9.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0727 -2.6079 8.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1159 0.6737 -4.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9076 1.8573 -5.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6707 1.6908 9.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4425 -0.1417 -6.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5749 1.0529 -7.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 34 1 0 0 0 0 3 34 1 0 0 0 0 4 12 1 0 0 0 0 4 21 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 20 1 0 0 0 0 6 30 1 0 0 0 0 7 27 2 0 0 0 0 8 30 2 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 27 1 0 0 0 0 11 30 1 0 0 0 0 11 55 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 24 1 0 0 0 0 18 44 1 0 0 0 0 19 25 2 0 0 0 0 19 45 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 21 28 2 0 0 0 0 21 29 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 28 31 1 0 0 0 0 28 53 1 0 0 0 0 29 32 2 0 0 0 0 29 54 1 0 0 0 0 31 33 2 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 M END > DBMET01971 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GRRLCOLFIQJMNI-QFIPXVFZSA-N/SDF?record_type=3d > C[C@@]1(COC2=CC=C(C=C2)N2CCC(CC2)OC2=CC=C(OC(F)(F)F)C=C2)OC(=O)NC1=O > InChI=1S/C23H23F3N2O6/c1-22(20(29)27-21(30)34-22)14-31-16-4-2-15(3-5-16)28-12-10-18(11-13-28)32-17-6-8-19(9-7-17)33-23(24,25)26/h2-9,18H,10-14H2,1H3,(H,27,29,30)/t22-/m0/s1 > GRRLCOLFIQJMNI-QFIPXVFZSA-N > C23H23F3N2O6 > 480.44 > 480.150820958 > 6 > 57 > 45.32206997760649 > 1 > 1 > 0 > 0 > (5S)-5-methyl-5-[(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenoxy)methyl]-1,3-oxazolidine-2,4-dione > 4.68 > 4.537068134154068 > -4.93 > 1 > 4 > -1 > 6.60986549192209 > 5.472167550637896 > 86.33000000000001 > 109.5902 > 8 > 1 > 5.62e-03 g/l > (5S)-5-methyl-5-(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenoxymethyl)-1,3-oxazolidine-2,4-dione > 0 $$$$