General Information of the Compound
| Compound ID |
CP0240988
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| Compound Name |
2-[4-[butyl-[3-(4-chlorophenyl)-2,4,6-trimethylphenyl]sulfamoyl]-2,3-dimethylphenoxy]propanoic acid
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| Structure |
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| Formula |
C30H36ClNO5S
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| Molecular Weight |
558.14
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| Canonical SMILES |
CCCCN(c1c(C)cc(C)c(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C
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| InChI |
InChI=1S/C30H36ClNO5S/c1-8-9-16-32(29-19(3)17-18(2)28(22(29)6)24-10-12-25(31)13-11-24)38(35,36)27-15-14-26(20(4)21(27)5)37-23(7)30(33)34/h10-15,17,23H,8-9,16H2,1-7H3,(H,33,34)
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| InChIKey |
UELOYCXVTMFRNT-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