2368 -OEChem-10051719103D 28 28 0 0 0 0 0 0 0999 V2000 1.0733 0.8192 -0.7501 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0418 0.7001 0.5062 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1239 -1.2878 -0.3091 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0674 0.3976 -1.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2736 0.1383 -0.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4822 -1.1319 -0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1598 1.1732 -0.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 0.0115 -0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5999 -1.3721 0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2773 0.9329 0.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4974 -0.3399 0.9216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8197 1.9395 1.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2343 -1.9805 0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1763 -0.4923 -2.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 1.1784 -2.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1424 1.8232 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7917 -1.9442 -0.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9966 2.1685 -0.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7715 -2.3632 1.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9760 1.7368 0.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3675 -0.5270 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8905 0.2173 0.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9072 1.8902 1.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7512 2.7806 0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6588 2.1344 1.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1932 -1.7196 -0.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0983 -3.0581 0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2642 -1.8038 1.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 2 22 1 0 0 0 0 3 8 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 9 1 0 0 0 0 6 17 1 0 0 0 0 7 10 2 0 0 0 0 7 18 1 0 0 0 0 9 11 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 M END > DB00217 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NIVZHWNOUVJHKV-UHFFFAOYSA-N/SDF?record_type=3d > CN\C(NCC1=CC=CC=C1)=N/C > InChI=1S/C10H15N3/c1-11-10(12-2)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,11,12,13) > NIVZHWNOUVJHKV-UHFFFAOYSA-N > C10H15N3 > 177.2462 > 177.126597495 > 3 > 28 > 0.9999960700917162 > 20.42707078400982 > 1 > 2 > 0 > 1 > (E)-N'-benzyl-N,N''-dimethylguanidine > 1.41 > 1.2665289659999996 > -2.05 > 0 > 1 > 1 > 1 > 12.405614447535985 > 36.42 > 54.50240000000001 > 2 > 1 > 1.58e+00 g/l > biotin > 1 $$$$