General Information of the Compound
| Compound ID |
CP0502029
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| Compound Name |
2-(Naphthalen-2-ylamino)-1,9-dihydro-purin-6-one
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| Structure |
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| Formula |
C15H11N5O
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| Molecular Weight |
277.287
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| Canonical SMILES |
O=c1[nH]c(Nc2ccc3ccccc3c2)nc2nc[nH]c12
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| InChI |
InChI=1S/C15H11N5O/c21-14-12-13(17-8-16-12)19-15(20-14)18-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H3,16,17,18,19,20,21)
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| InChIKey |
YUGNFZWBAPYCBO-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