General Information of the Compound
| Compound ID |
CP0009842
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| Compound Name |
3-((4-Methoxyphenyl)-amino)-4-((3-chlorophenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine
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| Structure |
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| Formula |
C18H15ClN6O
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| Molecular Weight |
366.812
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| Canonical SMILES |
COc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
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| InChI |
InChI=1S/C18H15ClN6O/c1-26-14-7-5-12(6-8-14)22-18-15-16(20-10-21-17(15)24-25-18)23-13-4-2-3-11(19)9-13/h2-10H,1H3,(H3,20,21,22,23,24,25)
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| InChIKey |
DVTLAQZTCJXBPC-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