General Information of the Compound
| Compound ID |
CP0494067
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| Compound Name |
4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C27H24ClN5O2
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| Molecular Weight |
485.975
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| Canonical SMILES |
Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3n(nc(C)c3c2Cl)-c2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C27H24ClN5O2/c1-15-5-11-21(12-6-15)33-26-24(16(2)31-33)25(28)22(14-29-26)27(34)30-13-19-7-9-20(10-8-19)23-17(3)32-35-18(23)4/h5-12,14H,13H2,1-4H3,(H,30,34)
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| InChIKey |
BMBGEOBOLHAIRE-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