General Information of the Compound
| Compound ID |
CP0505940
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| Compound Name |
2-(3-Hydroxymethyl-phenylamino)-1,9-dihydro-purin-6-one
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| Structure |
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| Formula |
C12H11N5O2
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| Molecular Weight |
257.253
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| Canonical SMILES |
OCc1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1
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| InChI |
InChI=1S/C12H11N5O2/c18-5-7-2-1-3-8(4-7)15-12-16-10-9(11(19)17-12)13-6-14-10/h1-4,6,18H,5H2,(H3,13,14,15,16,17,19)
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| InChIKey |
GOJOULROYGOFSN-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00054, Thymidine kinase
Protein ID: PT01530, Thymidine kinase