General Information of the Compound
| Compound ID |
CP0516059
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL447533
Show/Hide
|
||||||||||||||||||
| Formula |
C21H27NO5
|
||||||||||||||||||
| Molecular Weight |
373.449
|
||||||||||||||||||
| Canonical SMILES |
CC[C@]1(OC[C@H](CCCCc2nc(oc2C)-c2ccccc2)CO1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27NO5/c1-3-21(20(23)24)25-13-16(14-26-21)9-7-8-12-18-15(2)27-19(22-18)17-10-5-4-6-11-17/h4-6,10-11,16H,3,7-9,12-14H2,1-2H3,(H,23,24)/t16-,21+
Show/Hide
|
||||||||||||||||||
| InChIKey |
NXIZKFYYHVTHFH-NBEIKUQISA-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