69846 -OEChem-12081912023D 13 14 0 0 0 0 0 0 0999 V2000 -2.4115 -1.9193 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.8072 0.8057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3139 1.9042 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9408 -1.6233 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 0.3439 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0731 -0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8821 0.6563 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2591 -0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9873 1.9101 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1121 -1.0469 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8181 0.8790 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 2.8591 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0511 -1.6210 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 8 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 9 2 0 0 0 0 4 6 1 0 0 0 0 4 10 2 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 M END > DB02168 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CTGFGRDVWBZYNB-UHFFFAOYSA-N/SDF?record_type=3d > BrC1=NC=NC2=C1NC=N2 > InChI=1S/C5H3BrN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10) > CTGFGRDVWBZYNB-UHFFFAOYSA-N > C5H3BrN4 > 199.008 > 197.954108763 > 3 > 13 > 14.196160725397263 > 1 > 1 > 0 > 0 > 6-bromo-7H-purine > 0.60 > 0.6352728330000001 > -1.36 > 0 > 2 > 0 > 8.501685877451791 > 2.1104633556081267 > 54.46 > 41.67059999999999 > 0 > 1 > 8.73e+00 g/l > immucillin G > 0 $$$$