General Information of the Compound
| Compound ID |
CP0009094
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| Compound Name |
3-((3-Chlorophenyl)amino)-4,6-diamino-1H-pyrazolo[3,4-d]pyrimidine
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| Structure |
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| Formula |
C11H10ClN7
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| Molecular Weight |
275.703
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| Canonical SMILES |
Nc1nc(N)c2c(Nc3cccc(Cl)c3)[nH]nc2n1
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| InChI |
InChI=1S/C11H10ClN7/c12-5-2-1-3-6(4-5)15-9-7-8(13)16-11(14)17-10(7)19-18-9/h1-4H,(H6,13,14,15,16,17,18,19)
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| InChIKey |
YASYSLUSCVNMAJ-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