General Information of the Compound
| Compound ID |
CP0576120
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| Compound Name |
N-(1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-N-prop-2-enoylprop-2-enamide
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| Structure |
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| Formula |
C21H21N5O2
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| Molecular Weight |
375.432
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| Canonical SMILES |
CC(C)(C)n1nc(-c2ccccc2)c2c(ncnc12)N(C(=O)C=C)C(=O)C=C
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| InChI |
InChI=1S/C21H21N5O2/c1-6-15(27)25(16(28)7-2)19-17-18(14-11-9-8-10-12-14)24-26(21(3,4)5)20(17)23-13-22-19/h6-13H,1-2H2,3-5H3
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| InChIKey |
XXXRZCRYCHDQRR-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