16066663 -OEChem-06121809583D 49 52 0 0 0 0 0 0 0999 V2000 -7.4512 -3.6747 -2.3973 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.6960 1.0575 0.7821 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.1502 -0.9248 -1.3168 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9774 -3.2547 0.7752 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3624 -1.4394 0.1915 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1159 3.1415 -0.6211 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8139 1.7145 0.1338 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5702 1.0267 2.2259 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7732 0.1875 1.1954 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6215 0.8751 -0.1887 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8394 1.6932 -0.4222 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7058 -1.1409 0.2428 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9255 1.7716 -0.3037 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2336 1.6270 0.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5344 -0.6324 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3749 0.4396 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0720 -0.4422 0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1922 1.1061 -0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 1.9768 -0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7624 0.2745 -0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0799 -1.8848 0.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3059 -0.9728 0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4654 -2.0510 0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6769 2.1055 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.3252 0.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5486 1.5490 -0.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6998 2.3280 -1.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0207 0.5477 0.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9302 1.1074 0.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8403 -0.6718 0.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5995 -0.3768 -0.5714 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7526 -1.8100 1.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9468 -2.9580 0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1729 -2.6200 -1.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4868 2.4559 -0.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4008 1.1302 -0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4463 -2.7416 0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2707 2.6811 -1.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7146 -0.4073 1.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1004 3.0984 -1.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6118 -0.0817 1.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0369 -2.0361 0.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2367 2.5175 -0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3038 2.3761 -0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3026 -0.4001 -1.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6087 -0.7958 -0.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6589 0.6633 -0.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5602 -1.8456 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9202 -3.9778 0.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 14 1 0 0 0 0 2 30 1 0 0 0 0 3 30 1 0 0 0 0 3 34 1 0 0 0 0 4 23 1 0 0 0 0 5 17 2 0 0 0 0 6 19 2 0 0 0 0 9 29 2 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 16 1 0 0 0 0 11 19 1 0 0 0 0 11 35 1 0 0 0 0 12 22 1 0 0 0 0 12 31 1 0 0 0 0 12 42 1 0 0 0 0 13 26 1 0 0 0 0 13 29 1 0 0 0 0 13 43 1 0 0 0 0 14 29 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 2 0 0 0 0 16 20 2 0 0 0 0 18 24 2 0 0 0 0 18 25 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 24 27 1 0 0 0 0 24 38 1 0 0 0 0 25 28 2 0 0 0 0 25 39 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 40 1 0 0 0 0 28 41 1 0 0 0 0 30 32 2 0 0 0 0 31 45 1 0 0 0 0 31 46 1 0 0 0 0 31 47 1 0 0 0 0 32 33 1 0 0 0 0 32 48 1 0 0 0 0 33 34 2 0 0 0 0 33 49 1 0 0 0 0 M END > DB06350 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LGSDFTPAICUONK-UHFFFAOYSA-N/SDF?record_type=3d > CNC1=C(F)C=C2C(NC(=O)N(C2=O)C2=CC=C(NC(=O)NS(=O)(=O)C3=CC=C(Cl)S3)C=C2)=C1 > InChI=1S/C20H15ClFN5O5S2/c1-23-15-9-14-12(8-13(15)22)18(28)27(20(30)25-14)11-4-2-10(3-5-11)24-19(29)26-34(31,32)17-7-6-16(21)33-17/h2-9,23H,1H3,(H,25,30)(H2,24,26,29) > LGSDFTPAICUONK-UHFFFAOYSA-N > C20H15ClFN5O5S2 > 523.94 > 523.0187168 > 6 > 49 > 49.7046513737169 > 1 > 4 > 0 > 0 > 3-[(5-chlorothiophen-2-yl)sulfonyl]-1-{4-[6-fluoro-7-(methylamino)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]phenyl}urea > 3.24 > 3.462878781333332 > -5.21 > 0 > 4 > -1 > 10.432233183268792 > 4.6894201421385215 > 2.013613262240925 > 136.70999999999998 > 125.94660000000002 > 4 > 0 > 3.27e-03 g/l > elinogrel > 0 $$$$