General Information of the Compound
| Compound ID |
CP0000329
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| Compound Name |
3-((3-Methoxybenzyl)amino)-4-((3-chlorophenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine
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| Structure |
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| Formula |
C19H17ClN6O
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| Molecular Weight |
380.839
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| Canonical SMILES |
COc1cccc(CNc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1
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| InChI |
InChI=1S/C19H17ClN6O/c1-27-15-7-2-4-12(8-15)10-21-18-16-17(22-11-23-19(16)26-25-18)24-14-6-3-5-13(20)9-14/h2-9,11H,10H2,1H3,(H3,21,22,23,24,25,26)
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| InChIKey |
ASEKFENKLHTYMI-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