General Information of the Compound
| Compound ID |
CP0908200
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| Compound Name |
6-amino-9-benzyl-2-methyl-7H-purin-8(9H)-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 |
Cc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1
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| InChI |
InChI=1S/C13H13N5O/c1-8-15-11(14)10-12(16-8)18(13(19)17-10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,17,19)(H2,14,15,16)
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| InChIKey |
WPKCIMARMVFGJG-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