General Information of the Compound
| Compound ID |
CP0559967
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| Compound Name |
N-(1-tert-butyl-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)prop-2-enamide
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| Structure |
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| Formula |
C22H21N5O
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| Molecular Weight |
371.444
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| Canonical SMILES |
CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(NC(=O)C=C)ncnc12
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| InChI |
InChI=1S/C22H21N5O/c1-5-17(28)25-20-18-19(16-11-10-14-8-6-7-9-15(14)12-16)26-27(22(2,3)4)21(18)24-13-23-20/h5-13H,1H2,2-4H3,(H,23,24,25,28)
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| InChIKey |
DQQNNFDJRBPDSP-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