General Information of the Compound
| Compound ID |
CP0942924
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| Compound Name |
1-cyclopentyl-6-{(1R)-1-[(3R)-3-phenylpyrrolidin-1-yl]propyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C23H29N5O
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| Molecular Weight |
391.519
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| Canonical SMILES |
CC[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC[C@H](c2ccccc2)C1
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| InChI |
InChI=1S/C23H29N5O/c1-2-20(27-13-12-17(15-27)16-8-4-3-5-9-16)21-25-22-19(23(29)26-21)14-24-28(22)18-10-6-7-11-18/h3-5,8-9,14,17-18,20H,2,6-7,10-13,15H2,1H3,(H,25,26,29)/t17-,20+/m0/s1
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| InChIKey |
CZEXGWMHYREPCL-FXAWDEMLSA-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