General Information of the Compound
| Compound ID |
CP0111046
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[1-[(2,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-methylphenoxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H24Cl2N2O4
|
||||||||||||||||||
| Molecular Weight |
499.394
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(CN2CCc3ccccc3C2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H24Cl2N2O4/c1-16-12-17(6-9-23(16)34-15-24(31)32)14-30-11-10-18-4-2-3-5-20(18)25(30)26(33)29-22-8-7-19(27)13-21(22)28/h2-9,12-13,25H,10-11,14-15H2,1H3,(H,29,33)(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KRPUFNAIBFHUHU-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