General Information of the Compound
| Compound ID |
CP0952220
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| Compound Name |
7-{[2-Chloro-5-(trifluoromethyl)benzyl]oxy}-4-(3-thienyl)-2-naphthoic acid
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| Structure |
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| Formula |
C23H14ClF3O3S
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| Molecular Weight |
462.876
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| Canonical SMILES |
O=C(O)c1cc(-c2ccsc2)c2ccc(OCc3cc(C(F)(F)F)ccc3Cl)cc2c1
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| InChI |
InChI=1S/C23H14ClF3O3S/c24-21-4-1-17(23(25,26)27)8-16(21)11-30-18-2-3-19-14(9-18)7-15(22(28)29)10-20(19)13-5-6-31-12-13/h1-10,12H,11H2,(H,28,29)
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| InChIKey |
CDOUUYGWXLTRKO-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