General Information of the Compound
| Compound ID |
CP0405112
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| Compound Name |
2-(4-Ethyl-phenylamino)-1,9-dihydro-purin-6-one
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| Structure |
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| Formula |
C13H13N5O
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| Molecular Weight |
255.281
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| Canonical SMILES |
CCc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1
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| InChI |
InChI=1S/C13H13N5O/c1-2-8-3-5-9(6-4-8)16-13-17-11-10(12(19)18-13)14-7-15-11/h3-7H,2H2,1H3,(H3,14,15,16,17,18,19)
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| InChIKey |
QGHSUEJTSRYKDT-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: PT01530, Thymidine kinase
Protein ID: PT00054, Thymidine kinase