General Information of the Compound
| Compound ID |
CP0142823
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[butyl-[3-(4-chlorophenyl)-2-methylphenyl]sulfamoyl]-2-fluoro-3-methoxyphenoxy]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29ClFNO6S
|
||||||||||||||||||
| Molecular Weight |
550.048
|
||||||||||||||||||
| Canonical SMILES |
CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(F)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29ClFNO6S/c1-5-6-16-30(22-9-7-8-21(17(22)2)19-10-12-20(28)13-11-19)37(33,34)24-15-14-23(25(29)26(24)35-4)36-18(3)27(31)32/h7-15,18H,5-6,16H2,1-4H3,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LDQJXWUERFBNNP-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound