General Information of the Compound
| Compound ID |
CP0566231
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| Compound Name |
3-butan-2-yl-1-(4-chlorophenyl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C18H18ClN3O2
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| Molecular Weight |
343.814
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| Canonical SMILES |
CCC(C)c1nn(-c2ccc(Cl)cc2)c2nc(C)cc(C(O)=O)c12
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| InChI |
InChI=1S/C18H18ClN3O2/c1-4-10(2)16-15-14(18(23)24)9-11(3)20-17(15)22(21-16)13-7-5-12(19)6-8-13/h5-10H,4H2,1-3H3,(H,23,24)
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| InChIKey |
NOVVKTYAIMJVHC-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