447199 -OEChem-10051719523D 32 34 0 1 0 0 0 0 0999 V2000 -1.6648 0.4326 -1.0441 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2139 -2.3863 1.1105 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2168 -1.0949 -0.2198 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0586 3.1367 -0.4236 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9455 -2.0424 -0.5783 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2764 -1.8977 -0.4203 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9547 1.3552 0.1649 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4282 1.4577 0.4223 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8846 -0.4464 0.1446 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0124 -1.0249 0.7881 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2750 -0.8578 -0.5319 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3085 -0.2822 0.5233 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8476 0.8835 -0.3453 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2279 -0.9003 -0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 2.1185 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1601 0.0469 -0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4436 -0.5979 -0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6071 0.1349 0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1516 1.9647 0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4728 -0.5426 1.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5928 -1.6125 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8242 0.0275 1.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5860 1.1446 -1.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6603 1.9165 1.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 2.4837 1.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3387 -2.7997 1.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3949 -1.8884 0.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5949 -2.9628 -0.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8323 3.9132 0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0849 3.0254 0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9957 -1.4304 -0.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6909 0.1285 0.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 26 1 0 0 0 0 3 12 1 0 0 0 0 3 27 1 0 0 0 0 4 15 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 5 28 1 0 0 0 0 6 17 2 0 0 0 0 7 16 1 0 0 0 0 7 19 2 0 0 0 0 8 18 2 0 0 0 0 8 19 1 0 0 0 0 9 18 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 11 14 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 15 1 0 0 0 0 13 23 1 0 0 0 0 14 16 2 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 19 30 1 0 0 0 0 M END > DB02281 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KBHMEHLJSZMEMI-KSYZLYKTSA-N/SDF?record_type=3d > [H][C@]1(CO)O[C@@]([H])(C2=C3N=CN=C(N)C3=NN2)[C@]([H])(O)[C@]1([H])O > InChI=1S/C10H13N5O4/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(18)7(17)3(1-16)19-9/h2-3,7-9,16-18H,1H2,(H,14,15)(H2,11,12,13)/t3-,7-,8-,9+/m1/s1 > KBHMEHLJSZMEMI-KSYZLYKTSA-N > C10H13N5O4 > 267.2413 > 267.096753929 > 8 > 32 > -0.00353153994078483 > 25.106039175762312 > 1 > 5 > 0 > 0 > (2S,3R,4S,5R)-2-{7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl}-5-(hydroxymethyl)oxolane-3,4-diol > -1.17 > -2.326356407333334 > -1.42 > 0 > 0 > 3 > 0 > 12.80641486396822 > 9.450694595181563 > 0.3988366220103851 > 150.4 > 64.1631 > 2 > 1 > 1.03e+01 g/l > tetrahydrofolic acid > 0 $$$$