General Information of the Compound
| Compound ID |
CP0012538
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| Compound Name |
3-((4-Aminophenyl)amino)-4-((3-chlorophenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine
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| Structure |
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| Formula |
C17H14ClN7
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| Molecular Weight |
351.801
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| Canonical SMILES |
Nc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
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| InChI |
InChI=1S/C17H14ClN7/c18-10-2-1-3-13(8-10)23-15-14-16(21-9-20-15)24-25-17(14)22-12-6-4-11(19)5-7-12/h1-9H,19H2,(H3,20,21,22,23,24,25)
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| InChIKey |
KMXFOTQAKQWIOA-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