General Information of the Compound
| Compound ID |
CP0007624
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| Compound Name |
3-((3-Chlorobenzyl)amino)-4-((3-chlorophenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine
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| Structure |
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| Formula |
C18H14Cl2N6
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| Molecular Weight |
385.258
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| Canonical SMILES |
Clc1cccc(CNc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1
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| InChI |
InChI=1S/C18H14Cl2N6/c19-12-4-1-3-11(7-12)9-21-17-15-16(22-10-23-18(15)26-25-17)24-14-6-2-5-13(20)8-14/h1-8,10H,9H2,(H3,21,22,23,24,25,26)
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| InChIKey |
QFEGUXCVHFPAEW-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