5287610 -OEChem-10051720113D 28 30 0 1 0 0 0 0 0999 V2000 2.7758 1.7400 1.3519 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7505 -1.5581 0.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1604 -0.0884 -0.1546 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1974 -1.8359 0.1012 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4733 1.7081 -0.2043 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7438 0.8460 0.0354 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2123 -1.4876 0.2849 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 0.6673 -0.3116 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4122 0.4556 0.8433 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6522 -0.2159 0.2307 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1775 0.2776 -1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3903 -0.1960 -1.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1048 0.4215 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0543 -1.4467 -0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9326 -0.6783 0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2997 -0.4311 0.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8167 1.8218 -0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1282 1.7247 -0.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9969 -0.1191 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5813 0.3117 0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7944 0.3704 -2.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1013 -0.5385 -1.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9134 -2.1036 -0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9737 2.1404 1.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8745 -1.5324 1.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2076 2.8316 -0.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8834 -2.4414 0.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2009 -1.2823 0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 24 1 0 0 0 0 2 10 1 0 0 0 0 2 25 1 0 0 0 0 3 8 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 14 2 0 0 0 0 4 15 1 0 0 0 0 5 13 2 0 0 0 0 5 17 1 0 0 0 0 6 16 1 0 0 0 0 6 17 2 0 0 0 0 7 16 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 2 0 0 0 0 17 26 1 0 0 0 0 M END > DB03216 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RQPALADHFYHEHK-CHKWXVPMSA-N/SDF?record_type=3d > NC1=NC=NC2=C1N=CN2[C@@H]1C=C[C@H](O)[C@H]1O > InChI=1S/C10H11N5O2/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17/h1-6,8,16-17H,(H2,11,12,13)/t5-,6+,8+/m1/s1 > RQPALADHFYHEHK-CHKWXVPMSA-N > C10H11N5O2 > 233.2266 > 233.091274621 > 6 > 28 > 0.01170799473537381 > 22.431125569024548 > 1 > 3 > 0 > 0 > (1S,2S,5R)-5-(6-amino-9H-purin-9-yl)cyclopent-3-ene-1,2-diol > -0.63 > -1.1525487483333334 > -1.53 > 0 > 0 > 3 > 0 > 14.734815101312252 > 13.188752543128087 > 4.095488203655665 > 110.08000000000001 > 61.4408 > 1 > 1 > 6.86e+00 g/l > tetrahydrofolic acid > 0 $$$$