General Information of the Compound
| Compound ID |
CP0433984
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| Compound Name |
1-(4-chlorophenyl)-6-ethyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C20H22ClN3O2
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| Molecular Weight |
371.868
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| Canonical SMILES |
CCC(CC)c1nn(-c2ccc(Cl)cc2)c2nc(CC)cc(C(O)=O)c12
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| InChI |
InChI=1S/C20H22ClN3O2/c1-4-12(5-2)18-17-16(20(25)26)11-14(6-3)22-19(17)24(23-18)15-9-7-13(21)8-10-15/h7-12H,4-6H2,1-3H3,(H,25,26)
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| InChIKey |
KQOHIJYTBRKKNU-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