44511500 -OEChem-02231815063D 58 61 0 1 0 0 0 0 0999 V2000 -0.6060 -1.8863 -8.3797 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4921 -1.8327 -10.2684 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2751 -0.5705 -10.0245 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1229 1.7658 -3.7412 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2532 -1.3831 5.4418 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0269 0.0587 8.6946 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0623 -0.1885 7.1428 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -0.0444 -8.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0571 0.1544 0.1115 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9824 1.0771 8.7513 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 1.7937 10.1701 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0209 0.8089 -2.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1325 1.2428 -1.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2992 0.7035 -1.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 0.3057 -0.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1846 -0.2375 -0.7469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1059 -0.2324 1.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8975 -1.0443 1.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1585 0.1931 2.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0678 1.3165 -5.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2484 -0.6479 7.7208 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2047 -1.0055 4.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8481 -1.4309 3.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2079 -0.1935 3.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8796 -0.4831 6.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1114 -2.1026 8.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2939 0.7632 -5.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9639 1.4122 -5.9554 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0744 0.0825 7.8125 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2191 1.0226 9.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4882 0.3059 -6.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 0.9549 -7.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4564 0.4018 -7.6281 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 -1.0802 -9.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2626 -0.1866 -3.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9359 2.2665 -1.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0904 1.2884 -2.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6087 1.7011 -1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0913 0.3585 -2.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9855 0.7310 0.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6124 -0.6738 -0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0329 -1.2680 -1.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1382 -0.2183 -0.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7233 -1.4072 1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9451 0.8332 1.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6304 -2.0660 3.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0581 0.1383 4.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9511 -0.7141 6.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7734 0.5650 6.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5788 -2.6588 7.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -2.1769 9.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0854 -2.6041 8.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1108 0.6897 -4.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9206 1.8431 -5.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4459 -0.1225 -6.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5795 1.0419 -7.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7758 1.6418 10.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 2.5435 10.6309 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 20 1 0 0 0 0 5 22 1 0 0 0 0 5 25 1 0 0 0 0 6 21 1 0 0 0 0 6 30 1 0 0 0 0 7 29 2 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 29 1 0 0 0 0 10 30 2 0 0 0 0 11 30 1 0 0 0 0 11 57 1 0 0 0 0 11 58 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 23 1 0 0 0 0 18 44 1 0 0 0 0 19 24 2 0 0 0 0 19 45 1 0 0 0 0 20 27 2 0 0 0 0 20 28 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 21 29 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 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 27 31 1 0 0 0 0 27 53 1 0 0 0 0 28 32 2 0 0 0 0 28 54 1 0 0 0 0 31 33 2 0 0 0 0 31 55 1 0 0 0 0 32 33 1 0 0 0 0 32 56 1 0 0 0 0 M END > DBMET01967 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZYRGKDSOTQSDFK-QFIPXVFZSA-N/SDF?record_type=3d > [H]N1C(=N)O[C@@](C)(COC2=CC=C(C=C2)N2CCC(CC2)OC2=CC=C(OC(F)(F)F)C=C2)C1=O > InChI=1S/C23H24F3N3O5/c1-22(20(30)28-21(27)34-22)14-31-16-4-2-15(3-5-16)29-12-10-18(11-13-29)32-17-6-8-19(9-7-17)33-23(24,25)26/h2-9,18H,10-14H2,1H3,(H2,27,28,30)/t22-/m0/s1 > ZYRGKDSOTQSDFK-QFIPXVFZSA-N > C23H24F3N3O5 > 479.456 > 479.166805374 > 7 > 58 > 45.88667720982964 > 1 > 2 > 0 > 1 > (5S)-2-imino-5-methyl-5-[(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenoxy)methyl]-1,3-oxazolidin-4-one > 4.18 > 4.738673420333334 > -4.97 > 1 > 4 > 0 > 9.91923690998976 > 5.5079393608426575 > 93.11000000000001 > 122.3311 > 8 > 1 > 5.12e-03 g/l > (5S)-2-imino-5-methyl-5-(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenoxymethyl)-1,3-oxazolidin-4-one > 0 $$$$