73318 -OEChem-01032016083D 33 35 0 1 0 0 0 0 0999 V2000 1.5845 0.4349 1.0069 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3651 -0.8103 0.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3985 2.3796 -1.4757 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -3.4811 -0.1515 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3929 -0.4563 -0.6388 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0027 -1.1304 0.2838 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9553 -2.0487 -0.3422 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9144 1.1981 0.4817 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2297 1.4459 -0.0198 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8965 3.2792 0.6231 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3773 -0.9372 0.6426 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3337 -1.2532 -0.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4607 -0.2751 -0.2568 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7468 0.9390 0.3209 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2728 1.9129 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9591 -0.1413 0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5933 -2.3792 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 -0.7095 -0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3478 0.0846 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0693 1.9479 0.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5981 -1.5629 1.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8648 -1.0487 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6471 -2.3017 -0.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0369 -0.0743 -1.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3753 1.4622 1.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7538 2.7676 -0.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5737 1.4435 -1.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0515 -0.1397 0.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6871 -2.6868 -0.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0415 1.6059 0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9908 2.8246 -0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6684 3.9338 0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9933 3.6484 0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 13 1 0 0 0 0 2 28 1 0 0 0 0 3 15 1 0 0 0 0 3 31 1 0 0 0 0 4 17 2 0 0 0 0 5 19 2 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 29 1 0 0 0 0 8 16 1 0 0 0 0 8 20 1 0 0 0 0 8 30 1 0 0 0 0 9 19 1 0 0 0 0 9 20 2 0 0 0 0 10 20 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 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 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 18 19 1 0 0 0 0 M END > DB02502 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HCAJQHYUCKICQH-VPENINKCSA-N/SDF?record_type=3d > NC1=NC2=C(N=C(O)N2[C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1 > InChI=1S/C10H13N5O5/c11-9-13-7-6(8(18)14-9)12-10(19)15(7)5-1-3(17)4(2-16)20-5/h3-5,16-17H,1-2H2,(H,12,19)(H3,11,13,14,18)/t3-,4+,5+/m0/s1 > HCAJQHYUCKICQH-VPENINKCSA-N > C10H13N5O5 > 283.2407 > 283.091668551 > 8 > 33 > -0.0007907670129538959 > 25.839164033210256 > 1 > 5 > 0 > 0 > 2-amino-8-hydroxy-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one > -1.4248954496666668 > 0 > 0 > 3 > 0 > 12.763000610104056 > 10.102651788341628 > -1.6868671655483527 > 155.21999999999997 > 64.56459999999998 > 2 > 1 > (2S)-2-({4-[(2E)-N-({2-amino-4-oxo-1H-pyrido[3,2-d]pyrimidin-6-yl}methyl)-3-{5-carbamoyl-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazol-4-yl}prop-2-enamido]phenyl}formamido)pentanedioic acid > 0 $$$$