General Information of the Compound
| Compound ID |
CP0014330
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| Compound Name |
N-(1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-yl)prop-2-enamide
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| Structure |
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| Formula |
C18H19N5O
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| Molecular Weight |
321.384
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| Canonical SMILES |
CC(C)(C)n1nc(-c2ccccc2)c2c(NC(=O)C=C)ncnc12
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| InChI |
InChI=1S/C18H19N5O/c1-5-13(24)21-16-14-15(12-9-7-6-8-10-12)22-23(18(2,3)4)17(14)20-11-19-16/h5-11H,1H2,2-4H3,(H,19,20,21,24)
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| InChIKey |
MAVSQZRQGSMPPT-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