44511498 -OEChem-02231815163D 58 61 0 1 0 0 0 0 0999 V2000 0.2241 -1.9815 8.1666 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8499 -1.7365 10.0539 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1198 -0.8193 9.8193 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4313 1.7207 3.5471 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8582 0.2734 -8.8166 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0023 -1.3520 -5.6525 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2725 1.7225 -10.4921 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6693 0.0566 8.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0796 0.1683 -0.3143 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 0.7602 -9.0872 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1166 0.8117 2.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3966 0.4694 1.7446 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8942 1.4474 1.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1139 -0.4283 0.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1741 0.5530 0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1336 -0.6171 -7.9372 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0596 -0.2140 -1.6612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2837 -0.0624 -7.9215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7856 -0.5778 -6.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1948 -2.0252 -8.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0746 -0.8251 -2.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1744 0.0150 -2.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -0.9784 -4.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1582 1.3076 4.8247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0939 -1.2073 -3.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1552 -0.3673 -3.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0411 0.9913 -9.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1495 0.9872 5.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1878 1.2073 5.7605 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4276 0.5668 6.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9097 0.7870 7.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 0.4668 7.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0277 -1.1198 9.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3048 -0.1243 2.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 1.3948 1.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1102 -0.0187 2.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8287 1.6654 2.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 2.4193 1.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7746 -1.4151 0.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -0.5819 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8223 1.1106 -0.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 -0.3440 0.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4805 0.5891 -7.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0657 -0.8247 -7.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8047 -0.9819 -6.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8581 0.4737 -6.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 -2.7469 -7.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2113 -2.0414 -9.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2327 -2.3681 -8.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9544 -1.0331 -1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0642 0.4978 -2.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1464 1.1991 -9.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9787 -1.6859 -3.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0529 -0.1937 -4.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9643 1.0686 4.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 1.4564 5.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4484 0.3203 6.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7201 0.7200 7.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 33 1 0 0 0 0 3 33 1 0 0 0 0 4 11 1 0 0 0 0 4 24 1 0 0 0 0 5 16 1 0 0 0 0 5 27 1 0 0 0 0 6 19 1 0 0 0 0 6 23 1 0 0 0 0 7 27 2 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 27 1 0 0 0 0 10 52 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 25 1 0 0 0 0 21 50 1 0 0 0 0 22 26 2 0 0 0 0 22 51 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 28 30 1 0 0 0 0 28 55 1 0 0 0 0 29 31 2 0 0 0 0 29 56 1 0 0 0 0 30 32 2 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 M END > DBMET01968 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YWUUOWBFZQTMER-JOCHJYFZSA-N/SDF?record_type=3d > C[C@]1(COC2=CC=C(C=C2)N2CCC(CC2)OC2=CC=C(OC(F)(F)F)C=C2)CNC(=O)O1 > InChI=1S/C23H25F3N2O5/c1-22(14-27-21(29)33-22)15-30-17-4-2-16(3-5-17)28-12-10-19(11-13-28)31-18-6-8-20(9-7-18)32-23(24,25)26/h2-9,19H,10-15H2,1H3,(H,27,29)/t22-/m1/s1 > YWUUOWBFZQTMER-JOCHJYFZSA-N > C23H25F3N2O5 > 466.457 > 466.171556402 > 5 > 58 > 45.366363599471676 > 1 > 1 > 0 > 1 > (5R)-5-methyl-5-[(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenoxy)methyl]-1,3-oxazolidin-2-one > 4.56 > 4.816913932333334 > -4.89 > 1 > 4 > 0 > 12.7137988598972 > 5.510266679863795 > 69.26 > 109.3609 > 8 > 1 > 6.08e-03 g/l > (5R)-5-methyl-5-(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenoxymethyl)-1,3-oxazolidin-2-one > 0 $$$$