448110 -OEChem-10051719563D 39 41 0 0 0 0 0 0 0999 V2000 6.2279 -3.6935 0.4236 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 3.6043 0.6982 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4541 1.1592 -0.4227 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2883 0.0905 -0.7100 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7109 3.1267 0.3610 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5827 1.4626 -0.0904 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8633 -0.7311 -0.9056 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3794 0.1427 -0.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8482 -0.7894 0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1034 1.0939 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8754 -1.8199 -0.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6599 2.2927 0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7781 2.4166 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2870 -2.7536 0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0743 0.3318 -0.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7588 2.5360 0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1044 -1.0698 -0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0670 -1.7236 -1.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4137 -0.7626 0.9645 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3094 -2.0618 -0.6173 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6561 -1.1010 1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6039 -1.7507 0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 -0.4303 -1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2388 0.6568 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9784 -1.3065 0.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2797 -0.1923 1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7632 -1.3150 -0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4659 -2.4105 -1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8029 2.7544 0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6137 -0.8049 -1.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4225 -3.3008 1.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7532 -2.1949 1.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5173 -1.3632 -1.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4722 -4.2743 1.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8521 -1.9720 -2.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6898 -0.2775 1.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0474 -2.5676 -1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8840 -0.8636 2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5706 -2.0153 1.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 34 1 0 0 0 0 2 16 2 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 4 30 1 0 0 0 0 5 12 1 0 0 0 0 5 13 2 0 0 0 0 6 15 2 0 0 0 0 6 16 1 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 2 0 0 0 0 11 14 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 16 1 0 0 0 0 13 29 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M END > DB02495 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JHBXNPBKSPYOFT-UHFFFAOYSA-N/SDF?record_type=3d > OCCCCN1C=NC2=C1N=C(NC1=CC=CC=C1)NC2=O > InChI=1S/C15H17N5O2/c21-9-5-4-8-20-10-16-12-13(20)18-15(19-14(12)22)17-11-6-2-1-3-7-11/h1-3,6-7,10,21H,4-5,8-9H2,(H2,17,18,19,22) > JHBXNPBKSPYOFT-UHFFFAOYSA-N > C15H17N5O2 > 299.3278 > 299.138224813 > 5 > 39 > -0.003682746801894673 > 31.227765086522044 > 1 > 3 > 0 > 1 > 9-(4-hydroxybutyl)-2-(phenylamino)-6,9-dihydro-1H-purin-6-one > 1.44 > 1.1487072539999994 > -2.59 > 1 > 0 > 3 > 0 > 15.972022875212751 > 9.432192401334481 > 0.47747408526207197 > 91.54 > 85.05680000000001 > 6 > 1 > 7.75e-01 g/l > tetrahydrofolic acid > 0 $$$$