159738 -OEChem-10051720313D 33 35 0 1 0 0 0 0 0999 V2000 2.0016 -0.5195 -0.9532 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2075 2.2603 1.1829 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4002 2.1366 -0.4177 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7931 -2.6017 -0.3892 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2119 -0.2624 -0.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6347 -1.8978 0.3865 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7752 1.5486 -0.5468 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6702 -1.4392 0.4281 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7173 0.9840 0.8544 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0583 0.4136 -0.3922 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1745 1.0160 0.4374 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3060 -0.2632 -0.3831 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7082 -1.4678 0.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4629 0.2838 -0.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3687 -1.5734 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3322 -0.7468 0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7050 -0.4684 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0928 0.8296 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1128 1.7677 -0.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5818 0.3197 1.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8618 1.1835 -1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8663 1.0935 1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9981 -0.1484 -1.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 -1.6896 1.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6846 -1.3133 0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3791 2.8548 0.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3291 2.1008 -0.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4678 -2.2438 0.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9209 -2.7259 -0.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1406 1.1135 -0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4021 2.7825 -0.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2887 -1.6735 -0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1998 -1.2329 1.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 9 1 0 0 0 0 2 26 1 0 0 0 0 3 11 1 0 0 0 0 3 27 1 0 0 0 0 4 13 1 0 0 0 0 4 29 1 0 0 0 0 5 10 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 14 2 0 0 0 0 7 19 1 0 0 0 0 8 17 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 11 1 0 0 0 0 9 20 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 1 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 M END > DB04218 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NVUDDRWKCUAERS-PNHWDRBUSA-N/SDF?record_type=3d > [H][C@]1(CO)O[C@@]([H])(N2C=NC3=C(N)C=CN=C23)[C@]([H])(O)[C@]1([H])O > InChI=1S/C11H14N4O4/c12-5-1-2-13-10-7(5)14-4-15(10)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 > NVUDDRWKCUAERS-PNHWDRBUSA-N > C11H14N4O4 > 266.2533 > 266.101504956 > 7 > 33 > 0.1297182803446652 > 25.74199311838297 > 1 > 4 > 0 > 0 > (2R,3R,4S,5R)-2-{7-amino-3H-imidazo[4,5-b]pyridin-3-yl}-5-(hydroxymethyl)oxolane-3,4-diol > -0.86 > -1.979583468666667 > -1.32 > 0 > 0 > 3 > 0 > 13.891226600361858 > 12.454005363391126 > 5.177746748244442 > 126.65 > 64.0609 > 2 > 1 > 1.29e+01 g/l > tetrahydrofolic acid > 0 $$$$