thymine   Click here for help

GtoPdb Ligand ID: 4581

PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 65.72
Molecular weight 126.04
XLogP 0.05
No. Lipinski's rules broken 0
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Canonical SMILES Cc1c[nH]c(=O)[nH]c1=O
Isomeric SMILES Cc1c[nH]c(=O)[nH]c1=O
InChI InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
1. Yamamoto S, Inoue K, Murata T, Kamigaso S, Yasujima T, Maeda JY, Yoshida Y, Ohta KY, Yuasa H. (2010)
Identification and functional characterization of the first nucleobase transporter in mammals: implication in the species difference in the intestinal absorption mechanism of nucleobases and their analogs between higher primates and other mammals.
J Biol Chem, 285 (9): 6522-31. [PMID:20042597]
2. Yao SY, Ng AM, Cass CE, Baldwin SA, Young JD. (2011)
Nucleobase transport by human equilibrative nucleoside transporter 1 (hENT1).
J Biol Chem, 286 (37): 32552-62. [PMID:21795683]