General Information of the Compound
| Compound ID |
CP0281363
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| Compound Name |
2-[4-[butyl-[3-(4-chlorophenyl)-4-fluorophenyl]sulfamoyl]-2,3-dimethylphenoxy]propanoic acid
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| Structure |
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| Formula |
C27H29ClFNO5S
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| Molecular Weight |
534.049
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| Canonical SMILES |
CCCCN(c1ccc(F)c(c1)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C
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| InChI |
InChI=1S/C27H29ClFNO5S/c1-5-6-15-30(22-11-12-24(29)23(16-22)20-7-9-21(28)10-8-20)36(33,34)26-14-13-25(17(2)18(26)3)35-19(4)27(31)32/h7-14,16,19H,5-6,15H2,1-4H3,(H,31,32)
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| InChIKey |
XLKHHIOJLZGOJN-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