General Information of the Compound
| Compound ID |
CP0160737
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| Compound Name |
2-[4-[butyl-[5-(4-chlorophenyl)-4-fluoro-2-methylphenyl]sulfamoyl]-2,3-dimethylphenoxy]propanoic acid
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| Structure |
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| Formula |
C28H31ClFNO5S
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| Molecular Weight |
548.076
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| Canonical SMILES |
CCCCN(c1cc(c(F)cc1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C
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| InChI |
InChI=1S/C28H31ClFNO5S/c1-6-7-14-31(25-16-23(24(30)15-17(25)2)21-8-10-22(29)11-9-21)37(34,35)27-13-12-26(18(3)19(27)4)36-20(5)28(32)33/h8-13,15-16,20H,6-7,14H2,1-5H3,(H,32,33)
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| InChIKey |
LXSLFGKGTOSBCI-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