162834 -OEChem-01312016593D 29 30 0 0 0 0 0 0 0999 V2000 6.0342 -1.5646 -0.0102 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.0042 1.9494 0.0014 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3054 1.3459 0.0023 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6438 -1.2277 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -0.7583 -0.0147 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9185 0.9074 -0.0089 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0072 -0.6024 -0.0076 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8773 -0.4762 0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5858 -0.3582 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3092 0.9417 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6233 -2.6637 0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1884 0.1228 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3282 -0.0968 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3942 -0.9815 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5285 1.2740 0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6965 -0.4817 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8307 1.7739 0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9146 0.8961 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4390 -0.6488 0.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4825 -0.6471 -0.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2444 -2.9952 1.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9818 -3.0770 -0.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6264 -3.0815 -0.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0841 -1.7550 -0.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9264 -1.6160 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2202 -2.0549 -0.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7446 2.0166 0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0019 2.8464 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9238 1.2999 0.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 10 2 0 0 0 0 3 12 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 24 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 M END > DB12931 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DWPQODZAOSWNHB-UHFFFAOYSA-N/SDF?record_type=3d > CN1CC(=O)N=C1NC(=O)NC1=CC=CC(Cl)=C1 > InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18) > DWPQODZAOSWNHB-UHFFFAOYSA-N > C11H11ClN4O2 > 266.69 > 266.0570533 > 4 > 29 > -0.00025321486714598596 > 25.76950347161076 > 1 > 2 > 0 > 1 > 1-(3-chlorophenyl)-3-(1-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)urea > 1.29 > 0.9837657483333336 > -2.68 > 0 > 0 > 2 > 0 > 11.02435660595643 > 10.16414947251789 > 1.27715674062931 > 73.80000000000001 > 67.7004 > 1 > 1 > 5.52e-01 g/l > fiacitabine > 0 $$$$