General Information of the Compound
| Compound ID |
CP0439369
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| Compound Name |
2-(4-butyl-3-methylanilino)-1,7-dihydropurin-6-one
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| Structure |
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| Formula |
C16H19N5O
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| Molecular Weight |
297.362
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| Canonical SMILES |
CCCCc1ccc(Nc2nc(O)c3[nH]cnc3n2)cc1C
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| InChI |
InChI=1S/C16H19N5O/c1-3-4-5-11-6-7-12(8-10(11)2)19-16-20-14-13(15(22)21-16)17-9-18-14/h6-9H,3-5H2,1-2H3,(H3,17,18,19,20,21,22)
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| InChIKey |
XEKPOYWIOPARLZ-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