General Information of the Compound
| Compound ID |
CP0419151
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| Compound Name |
3-N-(2,6-dimethylphenyl)-6-N-phenyl-1-(3-pyrrolidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
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| Structure |
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| Formula |
C26H31N7
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| Molecular Weight |
441.583
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| Canonical SMILES |
Cc1cccc(C)c1Nc1nn(CCCN2CCCC2)c2nc(Nc3ccccc3)ncc12
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| InChI |
InChI=1S/C26H31N7/c1-19-10-8-11-20(2)23(19)29-24-22-18-27-26(28-21-12-4-3-5-13-21)30-25(22)33(31-24)17-9-16-32-14-6-7-15-32/h3-5,8,10-13,18H,6-7,9,14-17H2,1-2H3,(H,29,31)(H,27,28,30)
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| InChIKey |
DDBFKBRSCZHTFT-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