General Information of the Compound
| Compound ID |
CP0873878
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| Compound Name |
4-[5-(Methylsulfonyl)-3-thienyl]-7-[4-(trifluoromethoxy)phenyl]-2-naphthoic acid
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| Structure |
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| Formula |
C23H15F3O5S2
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| Molecular Weight |
492.496
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| Canonical SMILES |
CS(=O)(=O)c1cc(-c2cc(C(=O)O)cc3cc(-c4ccc(OC(F)(F)F)cc4)ccc23)cs1
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| InChI |
InChI=1S/C23H15F3O5S2/c1-33(29,30)21-11-17(12-32-21)20-10-16(22(27)28)9-15-8-14(4-7-19(15)20)13-2-5-18(6-3-13)31-23(24,25)26/h2-12H,1H3,(H,27,28)
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| InChIKey |
VSZHLGQACVIIKR-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