General Information of the Compound
| Compound ID |
CP0467731
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL410705
Show/Hide
|
||||||||||||||||||
| Formula |
C22H29NO5
|
||||||||||||||||||
| Molecular Weight |
387.476
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(cc1)-c1nc(CCCC[C@H]2CO[C@](C)(OC2)C(O)=O)c(C)o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H29NO5/c1-4-16-9-11-18(12-10-16)20-23-19(15(2)28-20)8-6-5-7-17-13-26-22(3,21(24)25)27-14-17/h9-12,17H,4-8,13-14H2,1-3H3,(H,24,25)/t17-,22+
Show/Hide
|
||||||||||||||||||
| InChIKey |
IWKMXHIFDGSHAC-LMTLIKQPSA-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 | |||||||||||||||||||
| 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: PT00915, Peroxisome proliferator-activated receptor gamma