Mrv1909 06242118112D 42 45 0 0 0 0 999 V2000 5.2396 0.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5328 0.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8305 0.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1261 0.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4226 0.0232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7186 0.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 0.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7186 1.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3113 0.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4055 0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4056 -0.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2978 -1.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0149 -0.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5327 1.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1927 0.2719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 -0.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1929 -1.0673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4469 -1.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 -0.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9007 -1.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7297 -1.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1494 -0.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9777 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3918 -1.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9718 -1.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1437 -1.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2137 -1.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6266 -1.8154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6292 -0.3813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2199 0.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3859 0.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6253 1.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9790 1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1439 1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4281 -0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7279 -1.2139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7334 -2.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4501 -2.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1499 -2.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1446 -1.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7357 0.3236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7357 1.7376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 7 13 1 0 0 0 0 2 14 2 0 0 0 0 10 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 11 17 1 0 0 0 0 17 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 21 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 5 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 35 40 1 0 0 0 0 27 29 1 0 0 0 0 34 42 2 0 0 0 0 34 41 1 0 0 0 0 M END > DBMET03392 > drugbank > CN1C(CNC2=CC=C(C=C2)C(=N)NC(=O)OCC(O)=O)=NC2=C1C=CC(=C2)C(=O)N(CCC(O)=O)C1=NC=CC=C1 > InChI=1S/C28H27N7O7/c1-34-21-10-7-18(27(40)35(13-11-24(36)37)22-4-2-3-12-30-22)14-20(21)32-23(34)15-31-19-8-5-17(6-9-19)26(29)33-28(41)42-16-25(38)39/h2-10,12,14,31H,11,13,15-16H2,1H3,(H,36,37)(H,38,39)(H2,29,33,41) > AKFQDXNSRLNJTO-UHFFFAOYSA-N > C28H27N7O7 > 573.566 > 573.197196237 > 10 > 69 > -1.9987884506620937 > 59.684369424104275 > 0 > 5 > 0 > 0 > 3-{1-[2-({[4-({[(carboxymethoxy)carbonyl]amino}methanimidoyl)phenyl]amino}methyl)-1-methyl-1H-1,3-benzodiazol-5-yl]-N-(pyridin-2-yl)formamido}propanoic acid > 1.97 > 0.3892333776955586 > -3.89 > 1 > -2 > 4 > -2 > 3.7236240706238286 > 2.285355311896515 > 4.228900744043377 > 199.82999999999996 > 160.41310000000001 > 12 > 0 > 7.38e-02 g/l > 2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-N-(pyridin-2-yl)-1,3-benzodiazole-5-carboxamide > 0 > DBMET03392 > Dabigatran M574 $$$$