General Information of the Compound
| Compound ID |
CP0441808
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| Compound Name |
2-[4-(3,5-difluorophenyl)-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetic acid
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| Structure |
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| Formula |
C24H16F2N2O4
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| Molecular Weight |
434.398
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| Canonical SMILES |
OC(=O)COc1ccc(cc1C(=O)c1cnn(c1)-c1ccccc1)-c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C24H16F2N2O4/c25-18-8-16(9-19(26)11-18)15-6-7-22(32-14-23(29)30)21(10-15)24(31)17-12-27-28(13-17)20-4-2-1-3-5-20/h1-13H,14H2,(H,29,30)
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| InChIKey |
YJNAKVPVZRVYIY-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