1509 -OEChem-01012016073D 31 33 0 0 0 0 0 0 0999 V2000 2.3939 2.0524 -0.6925 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 0.6136 0.1984 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4597 -1.5546 -0.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4908 1.2446 -0.1963 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7718 1.9679 0.4358 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.7791 -0.0689 -0.0148 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9852 0.1714 0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8641 -1.1847 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -0.4534 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2133 0.8215 0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5415 -0.2173 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3601 0.0410 0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0266 -1.9536 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2707 -1.3220 -0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1133 1.1299 -0.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3803 -1.1932 0.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6632 0.6593 0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8037 -0.9754 0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3087 0.2215 0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5851 1.5624 0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2251 1.8787 0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9666 -3.0133 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1404 -1.9530 -0.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 -2.1815 0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9285 2.1322 -0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4393 -1.7919 0.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3670 0.4440 0.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9835 2.5847 0.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6922 2.3879 0.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6858 0.3787 0.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7873 -1.0568 -0.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 2 20 1 0 0 0 0 3 8 1 0 0 0 0 3 9 2 0 0 0 0 4 15 1 0 0 0 0 4 19 1 0 0 0 0 4 25 1 0 0 0 0 5 17 2 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 17 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 10 21 1 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 18 19 2 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 M CHG 1 5 1 M END > DB04442 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PUOKYJMONGPAIM-UHFFFAOYSA-O/SDF?record_type=3d > NC(=[NH2+])C1=CC2=C(NC(=N2)C2=CC=CNC2=O)C=C1 > InChI=1S/C13H11N5O/c14-11(15)7-3-4-9-10(6-7)18-12(17-9)8-2-1-5-16-13(8)19/h1-6H,(H3,14,15)(H,16,19)(H,17,18)/p+1 > PUOKYJMONGPAIM-UHFFFAOYSA-O > C13H12N5O > 254.2673 > 254.104185031 > 3 > 31 > 0.961338265752191 > 26.930898656065906 > 1 > 4 > 1 > 0 > {amino[2-(2-oxo-1,2-dihydropyridin-3-yl)-1H-1,3-benzodiazol-5-yl]methylidene}azanium > -0.07 > -1.4490195682948754 > -3.14 > 0 > 1 > 3 > 1 > 11.41090827225894 > 8.398169313410184 > 10.772260635849143 > 109.39 > 83.3576 > 2 > 1 > 2.08e-01 g/l > 2-amino-3H,5H-pyrrolo[3,2-d]pyrimidin-4-one > 0 $$$$