General Information of the Compound
| Compound ID |
CP0401559
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2E,4E,6E)-7-[2-(2,2-Difluoro-ethoxy)-3,5-bis-(1,1-dimethyl-propyl)-phenyl]-6-fluoro-3-methyl-octa-2,4,6-trienoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H37F3O3
|
||||||||||||||||||
| Molecular Weight |
466.584
|
||||||||||||||||||
| Canonical SMILES |
CCC(C)(C)c1cc(\C(C)=C(\F)/C=C/C(/C)=C/C(O)=O)c(OCC(F)F)c(c1)C(C)(C)CC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H37F3O3/c1-9-26(5,6)19-14-20(18(4)22(28)12-11-17(3)13-24(31)32)25(33-16-23(29)30)21(15-19)27(7,8)10-2/h11-15,23H,9-10,16H2,1-8H3,(H,31,32)/b12-11+,17-13+,22-18+
Show/Hide
|
||||||||||||||||||
| InChIKey |
DVQNTOYQYUJEBD-OCNXMBTNSA-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: PT01475, Retinoic acid receptor alpha
Protein ID: PT01452, Retinoic acid receptor beta
Protein ID: PT01806, Retinoic acid receptor gamma
Protein ID: PT01930, Retinoic acid receptor RXR-alpha
Protein ID: PT01474, Retinoic acid receptor RXR-beta
Protein ID: PT02769, Retinoic acid receptor RXR-gamma