General Information of the Compound
| Compound ID |
CP0292417
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
alkynyl ether, 19
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H25F3O5S
|
||||||||||||||||||
| Molecular Weight |
542.575
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)COc1ccc(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#C)c2CCCCc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H25F3O5S/c1-2-15-35-25-16-19(17-36-21-10-8-20(9-11-21)29(30,31)32)7-13-27(25)38-26-14-12-24(37-18-28(33)34)22-5-3-4-6-23(22)26/h1,7-14,16H,3-6,15,17-18H2,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZCORSQTXEMWYOI-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