General Information of the Compound
| Compound ID |
CP0464059
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| Compound Name |
8-cyclopentyl-2-[(4-methylphenyl)methylamino]-1-propyl-7H-purin-6-one
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| Structure |
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| Formula |
C21H27N5O
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| Molecular Weight |
365.481
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| Canonical SMILES |
CCCn1c(NCc2ccc(C)cc2)nc2nc([nH]c2c1=O)C1CCCC1
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| InChI |
InChI=1S/C21H27N5O/c1-3-12-26-20(27)17-19(24-18(23-17)16-6-4-5-7-16)25-21(26)22-13-15-10-8-14(2)9-11-15/h8-11,16H,3-7,12-13H2,1-2H3,(H,22,25)(H,23,24)
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| InChIKey |
IYYNPQXZSSSBKF-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