General Information of the Compound
| Compound ID |
CP0474809
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| Compound Name |
2-(cyclopropylamino)-9-(3-methoxyphenyl)-7-methyl-7H-purin-8(9H)-one
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| Structure |
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| Formula |
C16H17N5O2
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| Molecular Weight |
311.345
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| Canonical SMILES |
COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(C)c1=O
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| InChI |
InChI=1S/C16H17N5O2/c1-20-13-9-17-15(18-10-6-7-10)19-14(13)21(16(20)22)11-4-3-5-12(8-11)23-2/h3-5,8-10H,6-7H2,1-2H3,(H,17,18,19)
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| InChIKey |
AJRRIEGYRSNLNQ-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