General Information of the Compound
| Compound ID |
CP0573894
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| Compound Name |
2-amino-9-benzyl-7-methyl-6-(5-methylfuran-2-yl)purin-8-one
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| Structure |
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| Formula |
C18H17N5O2
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| Molecular Weight |
335.367
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| Canonical SMILES |
Cc1ccc(o1)-c1nc(N)nc2n(Cc3ccccc3)c(=O)n(C)c12
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| InChI |
InChI=1S/C18H17N5O2/c1-11-8-9-13(25-11)14-15-16(21-17(19)20-14)23(18(24)22(15)2)10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H2,19,20,21)
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| InChIKey |
MZZSBBJCFHCTKE-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