General Information of the Compound
| Compound ID |
CP0526187
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| Compound Name |
2-[(3-chlorophenyl)methylamino]-8-cyclopentyl-1-propyl-7H-purin-6-one
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| Structure |
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| Formula |
C20H24ClN5O
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| Molecular Weight |
385.899
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| Canonical SMILES |
CCCn1c(NCc2cccc(Cl)c2)nc2nc([nH]c2c1=O)C1CCCC1
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| InChI |
InChI=1S/C20H24ClN5O/c1-2-10-26-19(27)16-18(24-17(23-16)14-7-3-4-8-14)25-20(26)22-12-13-6-5-9-15(21)11-13/h5-6,9,11,14H,2-4,7-8,10,12H2,1H3,(H,22,25)(H,23,24)
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| InChIKey |
UWZWSSGLKRDCBW-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