General Information of the Compound
| Compound ID |
CP0012034
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| Compound Name |
3-((3-Chlorophenyl)amino)-4-((3-methylphenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine
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| Structure |
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| Formula |
C18H15ClN6
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| Molecular Weight |
350.813
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| Canonical SMILES |
Cc1cccc(Nc2ncnc3n[nH]c(Nc4cccc(Cl)c4)c23)c1
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| InChI |
InChI=1S/C18H15ClN6/c1-11-4-2-6-13(8-11)22-16-15-17(21-10-20-16)24-25-18(15)23-14-7-3-5-12(19)9-14/h2-10H,1H3,(H3,20,21,22,23,24,25)
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| InChIKey |
PLZVTPONFFMTDM-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