790 -OEChem-12051918433D 14 15 0 0 0 0 0 0 0999 V2000 -1.7504 1.9036 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2179 1.3753 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0658 -1.8236 0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0816 -0.6881 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0264 -0.3911 -0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1533 0.5197 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7203 -0.7322 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2651 0.7783 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3536 0.6023 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -1.5444 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1816 2.3862 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2795 -2.7774 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3405 1.0428 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0241 -2.4655 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 9 2 0 0 0 0 5 8 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 M END > DB04076 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FDGQSTZJBFJUBT-UHFFFAOYSA-N/SDF?record_type=3d > O=C1N=CNC2=C1NC=N2 > InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) > FDGQSTZJBFJUBT-UHFFFAOYSA-N > C5H4N4O > 136.1115 > 136.03851077 > 4 > 14 > 11.782205311148328 > 1 > 2 > 0 > 0 > 6,7-dihydro-3H-purin-6-one > -0.74 > -0.3616587753333333 > -1.79 > 0 > 2 > 0 > 12.873385784880627 > 9.409939285794493 > 2.284234192567251 > 70.14 > 35.611799999999995 > 0 > 1 > 2.20e+00 g/l > N-{3-[4-(3-aminopropyl)piperazin-1-yl]propyl}-3-nitro-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzamide > 0 $$$$