General Information of the Compound
| Compound ID |
CP0859363
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| Compound Name |
4-{4-[(1R)-2,2-Difluoro-1-hydroxyethyl]phenyl}-7-[4-(methylthio)phenyl]-2-naphthoic acid
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| Structure |
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| Formula |
C26H20F2O3S
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| Molecular Weight |
450.506
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| Canonical SMILES |
CSc1ccc(-c2ccc3c(-c4ccc([C@@H](O)C(F)F)cc4)cc(C(=O)O)cc3c2)cc1
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| InChI |
InChI=1S/C26H20F2O3S/c1-32-21-9-6-15(7-10-21)18-8-11-22-19(12-18)13-20(26(30)31)14-23(22)16-2-4-17(5-3-16)24(29)25(27)28/h2-14,24-25,29H,1H3,(H,30,31)/t24-/m1/s1
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| InChIKey |
XXSNEPDKSGIQHM-XMMPIXPASA-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