General Information of the Compound
| Compound ID |
CP0008693
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| Compound Name |
3-((3-Chlorophenyl)amino)-4-amino-1H-pyrazolo[3,4-d]pyrimidine
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| Structure |
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| Formula |
C11H9ClN6
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| Molecular Weight |
260.688
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| Canonical SMILES |
Nc1ncnc2n[nH]c(Nc3cccc(Cl)c3)c12
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| InChI |
InChI=1S/C11H9ClN6/c12-6-2-1-3-7(4-6)16-11-8-9(13)14-5-15-10(8)17-18-11/h1-5H,(H4,13,14,15,16,17,18)
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| InChIKey |
ZDNMTYMNWKRHQA-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