447732 -OEChem-10051719463D 37 39 0 0 0 0 0 0 0999 V2000 2.1301 -1.7691 -0.5473 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7729 0.3984 0.0803 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0138 -0.5046 0.3721 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3228 1.6731 -0.1193 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9022 -0.7680 0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 0.5811 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4461 -0.1983 -0.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5485 -1.1414 0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6058 0.9545 -0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2378 1.5169 -0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9164 -1.7038 0.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6004 0.0115 0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 1.1283 -0.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2562 -1.3151 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 -0.6013 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 0.3083 0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9977 0.4142 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7954 -0.8968 -0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9259 1.4275 0.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1869 -0.9857 -0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3175 1.3384 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9479 0.1319 0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -2.1780 0.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8628 1.9948 -0.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4843 2.5575 -0.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6701 -2.7461 0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8363 1.8897 -0.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9884 -2.0878 0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4204 1.3097 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2785 -1.8042 -0.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4453 2.3721 0.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -1.9245 -0.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9102 2.2086 0.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0313 0.0628 0.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9831 -0.2044 0.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8536 -1.4861 0.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3439 1.7575 -0.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 2 29 1 0 0 0 0 3 17 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 17 2 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 8 23 1 0 0 0 0 9 12 2 0 0 0 0 9 24 1 0 0 0 0 10 13 2 0 0 0 0 10 25 1 0 0 0 0 11 14 2 0 0 0 0 11 26 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 21 2 0 0 0 0 19 31 1 0 0 0 0 20 22 2 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 M END > DB01977 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AECPTICWHONWNW-UHFFFAOYSA-N/SDF?record_type=3d > NC(=N)C1=CC=C2C=C(C=CC2=C1)C(=O)NC1=CC=CC=C1 > InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22) > AECPTICWHONWNW-UHFFFAOYSA-N > C18H15N3O > 289.3312 > 289.121512117 > 3 > 37 > 0.9999485853483536 > 32.2840606234076 > 1 > 3 > 0 > 1 > 6-carbamimidoyl-N-phenylnaphthalene-2-carboxamide > 2.46 > 2.975075852666667 > -4.35 > 0 > 1 > 3 > 1 > 15.539118406617147 > 11.288914939701785 > 78.97 > 99.7142 > 3 > 1 > 1.29e-02 g/l > biotin > 0 $$$$