General Information of the Compound
| Compound ID |
CP0495167
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| Compound Name |
2-anilino-8-cyclopentyl-1-propyl-7H-purin-6-one
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| Structure |
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| Formula |
C19H23N5O
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| Molecular Weight |
337.427
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| Canonical SMILES |
CCCn1c(Nc2ccccc2)nc2nc([nH]c2c1=O)C1CCCC1
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| InChI |
InChI=1S/C19H23N5O/c1-2-12-24-18(25)15-17(22-16(21-15)13-8-6-7-9-13)23-19(24)20-14-10-4-3-5-11-14/h3-5,10-11,13H,2,6-9,12H2,1H3,(H,20,23)(H,21,22)
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| InChIKey |
DZMZWDANOIAWHT-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