445966 -OEChem-11151916343D 30 32 0 1 0 0 0 0 0999 V2000 -0.3908 -0.3977 0.6016 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6931 -1.0223 -1.7477 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1489 -1.0430 0.0129 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1771 -2.0975 0.2915 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0267 1.3871 0.0485 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4027 1.0866 -0.4159 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1527 -1.2202 -0.2528 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4037 3.2006 -0.4991 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7218 -0.1515 1.0629 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9035 0.8016 1.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5011 0.8495 -0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4294 0.5619 0.6886 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1709 -0.5136 -0.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8582 0.0650 0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 -0.7564 0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 -0.2338 -0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2715 1.8107 -0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -2.3270 0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5792 -0.7460 1.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6352 1.7918 1.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6443 0.3723 1.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0188 1.6123 -0.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5812 1.0123 -0.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1862 1.2988 1.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5391 1.0780 -0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7273 -1.9499 -0.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -2.7951 0.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9306 -3.3189 0.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3076 3.5803 -0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5928 3.7970 -0.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 13 2 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 3 26 1 0 0 0 0 4 15 1 0 0 0 0 4 18 1 0 0 0 0 4 27 1 0 0 0 0 5 14 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 18 2 0 0 0 0 8 17 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 18 28 1 0 0 0 0 M END > DB02898 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UYPMMHCTXQIWDX-RXMQYKEDSA-N/SDF?record_type=3d > NC1=NC2=C(N=CN2)C(OC[C@H]2CCC(=O)N2)=N1 > InChI=1S/C10H12N6O2/c11-10-15-8-7(12-4-13-8)9(16-10)18-3-5-1-2-6(17)14-5/h4-5H,1-3H2,(H,14,17)(H3,11,12,13,15,16)/t5-/m1/s1 > UYPMMHCTXQIWDX-RXMQYKEDSA-N > C10H12N6O2 > 248.2413 > 248.102173658 > 6 > 30 > 24.17588217919722 > 1 > 3 > 0 > 0 > (5R)-5-{[(2-amino-9H-purin-6-yl)oxy]methyl}pyrrolidin-2-one > -0.7012651453333336 > 0 > 3 > 0 > 13.786788099877635 > 8.983438002924327 > 4.745982322276771 > 118.81 > 62.9676 > 3 > 1 > [(2R)-2-(4-aminobutanamido)-3-{[(4-methoxyphenyl)methyl]sulfanyl}propanamido]acetic acid > 0 $$$$