General Information of the Compound
| Compound ID |
CP0044028
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| Compound Name |
1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (3)
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| Structure |
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| Formula |
C19H19N5
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| Molecular Weight |
317.396
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| Canonical SMILES |
CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12
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| InChI |
InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-9-8-12-6-4-5-7-13(12)10-14/h4-11H,1-3H3,(H2,20,21,22)
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| InChIKey |
ILKDWZKZLIHMFM-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