General Information of the Compound
| Compound ID |
CP0438504
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[6-[(3,4-dichlorophenyl)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24Cl2N2O2S2
|
||||||||||||||||||
| Molecular Weight |
483.486
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCC(Sc1nc2ccc(NCc3ccc(Cl)c(Cl)c3)cc2s1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24Cl2N2O2S2/c1-2-3-4-5-6-19(21(27)28)29-22-26-18-10-8-15(12-20(18)30-22)25-13-14-7-9-16(23)17(24)11-14/h7-12,19,25H,2-6,13H2,1H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LBMJGOMXIVRABF-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