General Information of the Compound
| Compound ID |
CP0931118
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| Compound Name |
4-[4-(Methylsulfinyl)phenyl]-7-[4-(trifluoromethyl)phenyl]-2-naphthoic acid
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| Structure |
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| Formula |
C25H17F3O3S
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| Molecular Weight |
454.469
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| Canonical SMILES |
C[S+]([O-])c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1
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| InChI |
InChI=1S/C25H17F3O3S/c1-32(31)21-9-4-16(5-10-21)23-14-19(24(29)30)13-18-12-17(6-11-22(18)23)15-2-7-20(8-3-15)25(26,27)28/h2-14H,1H3,(H,29,30)
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| InChIKey |
ADDVWRMSWQCRSW-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