General Information of the Compound
| Compound ID |
CP0572742
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| Compound Name |
1-tert-butyl-3-(4-phenylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C21H21N5
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| Molecular Weight |
343.434
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| Canonical SMILES |
CC(C)(C)n1nc(-c2ccc(cc2)-c2ccccc2)c2c(N)ncnc12
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| InChI |
InChI=1S/C21H21N5/c1-21(2,3)26-20-17(19(22)23-13-24-20)18(25-26)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13H,1-3H3,(H2,22,23,24)
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| InChIKey |
MKQBBKVKYIFHPM-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