General Information of the Compound
| Compound ID |
CP0009227
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| Compound Name |
3-(Benzylamino)-4-((3-chlorophenyl)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 |
Clc1cccc(Nc2ncnc3n[nH]c(NCc4ccccc4)c23)c1
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| InChI |
InChI=1S/C18H15ClN6/c19-13-7-4-8-14(9-13)23-16-15-17(24-25-18(15)22-11-21-16)20-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H3,20,21,22,23,24,25)
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| InChIKey |
BEXPELAOVIOQHQ-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