General Information of the Compound
| Compound ID |
CP0576123
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| Compound Name |
N-[1-tert-butyl-3-(4-phenylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]prop-2-enamide
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| Formula |
C24H23N5O
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| Molecular Weight |
397.482
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| Canonical SMILES |
CC(C)(C)n1nc(-c2ccc(cc2)-c2ccccc2)c2c(NC(=O)C=C)ncnc12
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| InChI |
InChI=1S/C24H23N5O/c1-5-19(30)27-22-20-21(28-29(24(2,3)4)23(20)26-15-25-22)18-13-11-17(12-14-18)16-9-7-6-8-10-16/h5-15H,1H2,2-4H3,(H,25,26,27,30)
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| InChIKey |
ZXVVUQPZDXGGJY-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