General Information of the Compound
| Compound ID |
CP0547294
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[3-[2-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]sulfonylacetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H17F3O5S
|
||||||||||||||||||
| Molecular Weight |
450.434
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CS(=O)(=O)c1ccc(OCc2cccc(c2)-c2ccccc2C(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H17F3O5S/c23-22(24,25)20-7-2-1-6-19(20)16-5-3-4-15(12-16)13-30-17-8-10-18(11-9-17)31(28,29)14-21(26)27/h1-12H,13-14H2,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VJDPOBGJMKLKCF-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