General Information of the Compound
| Compound ID |
CP0371874
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| Compound Name |
2-[4-(4-chlorophenyl)-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetic acid
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| Structure |
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| Formula |
C24H17ClN2O4
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| Molecular Weight |
432.863
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| Canonical SMILES |
OC(=O)COc1ccc(cc1C(=O)c1cnn(c1)-c1ccccc1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H17ClN2O4/c25-19-9-6-16(7-10-19)17-8-11-22(31-15-23(28)29)21(12-17)24(30)18-13-26-27(14-18)20-4-2-1-3-5-20/h1-14H,15H2,(H,28,29)
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| InChIKey |
YVBANBQEFCQYAS-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