General Information of the Compound
| Compound ID |
CP0918718
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-(2-(4-fluorobenzyloxy)-5-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrol-1-yl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H16ClF4NO3
|
||||||||||||||||||
| Molecular Weight |
489.852
|
||||||||||||||||||
| Canonical SMILES |
O=C(O)c1cccc(-n2c(-c3cc(Cl)ccc3OCc3ccc(F)cc3)ccc2C(F)(F)F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H16ClF4NO3/c26-17-6-10-22(34-14-15-4-7-18(27)8-5-15)20(13-17)21-9-11-23(25(28,29)30)31(21)19-3-1-2-16(12-19)24(32)33/h1-13H,14H2,(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ICHVAUAKAIUONA-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