General Information of the Compound
| Compound ID |
CP0532322
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-[[2-(4-fluorophenyl)sulfonyl-5-methoxyphenyl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24FNO6S
|
||||||||||||||||||
| Molecular Weight |
485.533
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(c(Cc2c(C)n(CC(O)=O)c3CCCC(=O)c23)c1)S(=O)(=O)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24FNO6S/c1-15-20(25-21(4-3-5-22(25)28)27(15)14-24(29)30)13-16-12-18(33-2)8-11-23(16)34(31,32)19-9-6-17(26)7-10-19/h6-12H,3-5,13-14H2,1-2H3,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VWSAIXQGXMYPHJ-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