446845 -OEChem-02092011543D 46 49 0 1 0 0 0 0 0999 V2000 1.3899 1.7455 -1.1759 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3396 -0.3930 1.6088 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8865 0.7290 -2.5751 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7720 1.1077 0.0505 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3543 -0.0988 -0.4718 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 -1.2168 -0.4883 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8831 1.5307 0.1734 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6317 1.4176 0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5346 0.2174 0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4652 2.6540 1.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2904 0.7668 -1.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2461 0.5035 -0.7173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4119 2.2273 0.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6370 0.3998 -0.7479 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8026 2.1237 0.9367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4151 1.2100 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4640 -1.1396 -0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3081 -2.2476 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9776 0.0463 0.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3219 -0.1632 0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6455 -2.1709 0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3150 0.1229 0.8309 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1491 -0.9856 0.6841 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8243 -1.1092 0.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3544 -0.4533 -0.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3786 -2.3894 0.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9085 -1.7334 -0.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4209 -2.7016 0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1088 3.6361 0.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5585 2.6850 0.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2255 2.5261 2.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -0.1332 -1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9792 2.9491 1.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7464 -2.0533 -0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0872 -0.3044 -1.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4041 2.7560 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9291 -3.1779 -0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3689 0.9346 0.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2948 -3.0340 0.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7072 1.0452 1.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1902 -0.9258 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0302 -0.8845 1.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7350 0.2992 -1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0025 -3.1416 1.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7201 -1.9763 -1.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8534 -3.6978 0.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 9 2 0 0 0 0 3 11 2 0 0 0 0 4 16 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 6 17 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 13 15 2 0 0 0 0 13 33 1 0 0 0 0 14 16 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 18 37 1 0 0 0 0 19 22 2 0 0 0 0 19 38 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 25 27 2 0 0 0 0 25 43 1 0 0 0 0 26 28 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END > DB07778 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PCCSBWNGDMYFCW-QFIPXVFZSA-N/SDF?record_type=3d > C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1 > InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3/t22-/m0/s1 > PCCSBWNGDMYFCW-QFIPXVFZSA-N > C22H18N2O4 > 374.3893 > 374.126657074 > 3 > 46 > -5.530137442126177e-08 > 37.33998373505621 > 1 > 1 > 0 > 1 > (5S)-5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-1,3-oxazolidine-2,4-dione > 4.81 > 5.250625688333334 > -5.24 > 0 > 0 > 4 > 0 > 14.257103833649687 > -3.690259035768601 > 67.87 > 104.08890000000002 > 5 > 0 > 2.15e-03 g/l > 6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7-one > 0 $$$$