774 -OEChem-10051720473D 17 17 0 0 0 0 0 0 0999 V2000 -1.1204 1.1144 -0.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5306 -0.0416 -0.1154 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2425 -0.8021 -0.0893 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2012 0.4470 0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2479 0.1410 0.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1319 -0.3296 -0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9277 -1.0254 0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3252 0.4962 -0.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 1.5246 0.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4098 0.1864 1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9291 -0.0699 -1.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9687 -1.4087 -0.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9352 2.1052 -0.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5656 -2.0205 0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2160 1.0450 -0.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7265 -0.2756 0.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6981 0.9604 -0.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 2 6 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 7 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 M END > DB05381 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NTYJJOPFIAHURM-UHFFFAOYSA-N/SDF?record_type=3d > NCCC1=CNC=N1 > InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8) > NTYJJOPFIAHURM-UHFFFAOYSA-N > C5H9N3 > 111.1451 > 111.079647303 > 2 > 17 > 1.1455019189515836 > 12.083995477047418 > 1 > 2 > 0 > 0 > 2-(1H-imidazol-4-yl)ethan-1-amine > -0.69 > -0.7009711443333334 > 0.18 > 0 > 1 > 1 > 1 > 14.456615295256656 > 9.576453109401491 > 54.7 > 31.663399999999996 > 2 > 1 > 1.69e+02 g/l > biotin > 0 $$$$