5287979 -OEChem-10051721053D 54 56 0 0 0 0 0 0 0999 V2000 -0.1502 4.4028 -1.7224 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9817 1.1728 -0.2977 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4635 -1.2800 0.1062 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7090 -3.9534 0.2714 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2558 -0.4132 -0.1144 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1901 4.7693 0.5860 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4465 -3.3461 0.2091 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3129 0.5272 -0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0349 2.5199 -0.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0976 0.3616 -0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6122 -0.1047 -0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2178 1.9108 -0.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1551 -0.2474 -0.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1926 1.7453 -0.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 3.9628 -0.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7826 -1.4082 -0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6937 0.5889 0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1165 -1.3246 0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0348 -2.0182 -0.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9459 -0.0209 0.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5874 0.0186 -0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6104 -1.0515 -0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2864 -2.3343 -0.4252 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8500 -0.7264 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5081 -3.0366 0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1682 4.2043 1.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2739 6.2212 0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2463 -3.3385 -0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8099 -1.7305 0.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4216 -1.9610 0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5344 -4.1103 0.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0986 2.5419 -0.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1954 -1.3241 0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1301 2.2799 -0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0756 -1.4000 0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9790 -1.9738 -1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6016 1.5929 0.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1362 -3.0234 -0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7740 0.5316 0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3345 -2.6070 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1000 0.2834 0.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1076 3.1168 1.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0821 4.5123 2.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 4.6122 2.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2849 6.5614 -0.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1932 6.5483 1.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5929 6.6521 1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0022 -4.3509 -0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7883 -1.4836 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5463 -3.7064 0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4084 -4.8773 -0.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4535 -4.5849 1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6496 -3.9567 0.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8491 -4.1534 -0.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 21 2 0 0 0 0 3 30 2 0 0 0 0 4 7 1 0 0 0 0 4 54 1 0 0 0 0 5 10 1 0 0 0 0 5 21 1 0 0 0 0 5 35 1 0 0 0 0 6 15 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 30 1 0 0 0 0 7 53 1 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 16 19 1 0 0 0 0 16 36 1 0 0 0 0 17 20 2 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 28 1 0 0 0 0 23 40 1 0 0 0 0 24 29 2 0 0 0 0 24 41 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 25 31 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 M END > DB07586 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DOPFUKKMSDUVTQ-UHFFFAOYSA-N/SDF?record_type=3d > CN(C)C(=O)C1=CC(=CC(NC(=O)C2=CC=C(C)C=C2)=C1)C1=CC=C(C=C1)C(=O)NO > InChI=1S/C24H23N3O4/c1-15-4-6-17(7-5-15)22(28)25-21-13-19(12-20(14-21)24(30)27(2)3)16-8-10-18(11-9-16)23(29)26-31/h4-14,31H,1-3H3,(H,25,28)(H,26,29) > DOPFUKKMSDUVTQ-UHFFFAOYSA-N > C24H23N3O4 > 417.4571 > 417.168856239 > 4 > 54 > -0.008891924524829667 > 46.09914932255978 > 1 > 3 > 0 > 1 > N4'-hydroxy-N3,N3-dimethyl-5-(4-methylbenzamido)-[1,1'-biphenyl]-3,4'-dicarboxamide > 3.03 > 3.371228365666667 > -5.29 > 0 > 0 > 3 > 0 > 15.438644641827592 > 9.047125065369668 > -1.1348017956958982 > 98.74000000000001 > 121.48369999999996 > 5 > 1 > 2.15e-03 g/l > tetrahydrofolic acid > 0 $$$$