General Information of the Compound
| Compound ID |
CP0246514
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| Compound Name |
8-cyclopentyl-2-(3-methoxyphenyl)-1-propyl-7H-purin-6-one
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| Structure |
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| Formula |
C20H24N4O2
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| Molecular Weight |
352.438
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| Canonical SMILES |
CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(OC)c1
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| InChI |
InChI=1S/C20H24N4O2/c1-3-11-24-19(14-9-6-10-15(12-14)26-2)23-18-16(20(24)25)21-17(22-18)13-7-4-5-8-13/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,21,22)
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| InChIKey |
PXYOVLXLEHMWCR-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