General Information of the Compound
| Compound ID |
CP0497564
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-[({1-[3-Fluoro-5-(trifluoromethyl)phenyl]-3-methylbutyl}amino)carbonyl]-4-(phenoxymethyl)phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H29F4NO4
|
||||||||||||||||||
| Molecular Weight |
531.546
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1cc(F)cc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H29F4NO4/c1-18(2)12-26(21-14-22(29(31,32)33)16-23(30)15-21)34-28(37)25-13-19(8-9-20(25)10-11-27(35)36)17-38-24-6-4-3-5-7-24/h3-9,13-16,18,26H,10-12,17H2,1-2H3,(H,34,37)(H,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BCWGHIPBCVXSKW-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