23190 -OEChem-01072017123D 33 35 0 1 0 0 0 0 0999 V2000 2.0158 -0.5141 -0.9556 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2326 2.2715 1.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4262 2.1361 -0.4214 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7970 -2.6040 -0.3878 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1973 -0.2458 -0.1428 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 -1.8778 0.3830 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 0.7582 -0.2012 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5944 -1.5000 0.4421 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0763 0.4239 -0.3964 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7367 0.9926 0.8502 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1945 1.0174 0.4346 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3209 -0.2632 -0.3845 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7166 -1.4689 0.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 0.3111 -0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3523 -1.5556 0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3151 -0.7261 0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8856 1.5877 -0.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6878 -0.4765 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2650 1.7335 -0.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8888 1.1924 -1.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5976 0.3299 1.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8859 1.0924 1.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0143 -0.1526 -1.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9808 -1.6865 1.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6933 -1.3185 0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4027 2.8631 0.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4838 -2.2263 0.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3552 2.0956 -0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2193 2.3995 -0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9248 -2.7245 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7160 2.6927 -0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5853 -1.3001 0.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2581 -2.4239 0.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 10 1 0 0 0 0 2 26 1 0 0 0 0 3 11 1 0 0 0 0 3 28 1 0 0 0 0 4 13 1 0 0 0 0 4 30 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 15 2 0 0 0 0 6 16 1 0 0 0 0 7 18 2 0 0 0 0 7 19 1 0 0 0 0 8 18 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 27 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 17 29 1 0 0 0 0 19 31 1 0 0 0 0 M END > DB04546 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DBZQFUNLCALWDY-PNHWDRBUSA-N/SDF?record_type=3d > NC1=NC=CC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O > InChI=1S/C11H14N4O4/c12-10-7-5(1-2-13-10)15(4-14-7)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1 > DBZQFUNLCALWDY-PNHWDRBUSA-N > C11H14N4O4 > 266.2533 > 266.101504956 > 7 > 33 > 0.6575168533136201 > 25.649716568965914 > 1 > 4 > 0 > 0 > (2R,3R,4S,5R)-2-{4-amino-1H-imidazo[4,5-c]pyridin-1-yl}-5-(hydroxymethyl)oxolane-3,4-diol > -0.86 > -1.7525879936666664 > -1.33 > 0 > 1 > 3 > 1 > 13.891802949212783 > 12.455603669523713 > 7.283466451879476 > 126.65 > 64.4218 > 2 > 1 > 1.25e+01 g/l > (E)-N''-(4-chlorophenyl)-N-hydroxyguanidine > 0 $$$$