General Information of the Compound
| Compound ID |
CP0461769
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{4-n-butoxy-3-[(4-trifluoromethylbenzoylamino)methyl]phenylmethyl}butyric acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28F3NO4
|
||||||||||||||||||
| Molecular Weight |
451.485
|
||||||||||||||||||
| Canonical SMILES |
CCCCOc1ccc(CC(CC)C(O)=O)cc1CNC(=O)c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28F3NO4/c1-3-5-12-32-21-11-6-16(13-17(4-2)23(30)31)14-19(21)15-28-22(29)18-7-9-20(10-8-18)24(25,26)27/h6-11,14,17H,3-5,12-13,15H2,1-2H3,(H,28,29)(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PGMNREGYAOBCRN-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
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma