65050 -OEChem-10061700303D 29 30 0 1 0 0 0 0 0999 V2000 -2.7154 -3.0097 0.3660 I 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 -0.1824 -0.9947 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8328 1.6064 0.1427 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3468 -2.8641 -0.6206 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0591 2.7985 -0.3633 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4298 0.5880 -0.1804 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7284 1.2898 -0.0831 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4608 -0.2084 0.2005 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0536 0.5721 0.7396 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6597 1.0831 1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9638 0.8958 -0.3166 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8145 -0.5436 -0.2681 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5690 -1.8948 0.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8412 -0.7245 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3936 1.6217 -0.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1227 -1.0759 0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1132 0.0480 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.2368 1.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1913 0.4672 1.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6227 2.1261 1.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0939 1.7905 -0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6246 -0.6228 -1.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7111 -1.8886 1.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4516 -2.1989 0.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9134 2.3230 0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0753 -1.4843 0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2068 -3.7166 -0.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8164 -1.1505 0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1400 0.5444 0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 9 1 0 0 0 0 3 25 1 0 0 0 0 4 13 1 0 0 0 0 4 27 1 0 0 0 0 5 15 2 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 15 1 0 0 0 0 7 17 2 0 0 0 0 8 17 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 16 17 1 0 0 0 0 M END > DB13776 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WEVJJMPVVFNAHZ-RRKCRQDMSA-N/SDF?record_type=3d > NC1=NC(=O)N(C=C1I)[C@H]1C[C@H](O)[C@@H](CO)O1 > InChI=1S/C9H12IN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1 > WEVJJMPVVFNAHZ-RRKCRQDMSA-N > C9H12IN3O4 > 353.116 > 352.98725 > 6 > 29 > 26.756695940942 > 1 > 3 > 0 > 0 > 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-1,2-dihydropyrimidin-2-one > -1.07 > -0.911193769333333 > -2.03 > 0 > 2 > 0 > 14.787516764943842 > 13.894896152878509 > -1.9631684093920465 > 108.38000000000001 > 66.3831 > 2 > 1 > 3.31e+00 g/l > 5-iodo-2'-deoxycytidine > 0 $$$$