General Information of the Compound
| Compound ID |
CP0559615
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| Compound Name |
2-[3-[2-(4-chlorophenyl)propan- 2-yl]-5-hydroxypyrazol-1- yl]pyridine-4-carboxylic acid
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| Formula |
C18H16ClN3O3
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| Molecular Weight |
357.797
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| Canonical SMILES |
CC(C)(c1cc(O)n(n1)-c1cc(ccn1)C(O)=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C18H16ClN3O3/c1-18(2,12-3-5-13(19)6-4-12)14-10-16(23)22(21-14)15-9-11(17(24)25)7-8-20-15/h3-10,23H,1-2H3,(H,24,25)
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| InChIKey |
KZVFIAJADGKVPK-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