General Information of the Compound
| Compound ID |
CP0863205
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| Compound Name |
4-[5-(2,2-Difluoro-1-hydroxyethyl)-3-thienyl]-7-[4-(trifluoromethyl)phenyl]-2-naphthoic acid
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| Structure |
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| Formula |
C24H15F5O3S
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| Molecular Weight |
478.438
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| Canonical SMILES |
O=C(O)c1cc(-c2csc(C(O)C(F)F)c2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1
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| InChI |
InChI=1S/C24H15F5O3S/c25-22(26)21(30)20-10-16(11-33-20)19-9-15(23(31)32)8-14-7-13(3-6-18(14)19)12-1-4-17(5-2-12)24(27,28)29/h1-11,21-22,30H,(H,31,32)
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| InChIKey |
OCZVPEQORVEFIP-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