60817 -OEChem-10051719583D 29 31 0 0 0 0 0 0 0999 V2000 -3.9282 -1.1925 1.2905 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3552 -2.2096 0.1835 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2409 1.1585 -0.6845 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3407 0.8860 0.4831 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6482 2.9521 -0.3782 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1794 -0.6197 0.8131 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1206 -0.9250 -0.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -0.1483 -0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3185 -0.4780 -1.6358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8817 -0.9453 0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1368 -2.2074 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3432 -0.0396 -0.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1313 -0.4726 0.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4489 1.6102 -0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3722 1.2677 -0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -0.9449 -0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3227 1.6406 0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1955 0.6680 1.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0872 0.3472 -2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7269 -1.2840 -2.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4347 -3.1218 -0.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7896 -3.0187 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6226 1.7987 -1.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6799 2.0100 -0.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2524 -1.9837 -0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3796 2.6606 1.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9643 3.5154 -0.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4871 3.4178 -0.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9556 0.9078 1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 22 1 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 3 23 1 0 0 0 0 4 13 1 0 0 0 0 4 14 2 0 0 0 0 5 14 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 16 1 0 0 0 0 6 18 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 10 2 0 0 0 0 9 12 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 13 1 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 12 16 2 0 0 0 0 15 17 2 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 29 1 0 0 0 0 M END > DB02568 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DOHVAKFYAHLCJP-UHFFFAOYSA-N/SDF?record_type=3d > NC1=NC(=O)C2=C(N1)C(CC1=CN=CC=C1)=CN2 > InChI=1S/C12H11N5O/c13-12-16-9-8(4-7-2-1-3-14-5-7)6-15-10(9)11(18)17-12/h1-3,5-6,15H,4H2,(H3,13,16,17,18) > DOHVAKFYAHLCJP-UHFFFAOYSA-N > C12H11N5O > 241.2486 > 241.096359999 > 5 > 29 > 0.024402460323035374 > 23.909817378311004 > 1 > 3 > 0 > 1 > 2-amino-7-[(pyridin-3-yl)methyl]-1H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one > 0.54 > 0.8886792713333331 > -3.30 > 0 > 0 > 3 > 0 > 15.03854317544404 > 13.461131042878801 > 5.397978490513729 > 96.16 > 67.9719 > 2 > 1 > 1.21e-01 g/l > tetrahydrofolic acid > 0 $$$$