General Information of the Compound
| Compound ID |
CP0387914
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((4-tert-butylphenyl)ethynyl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18O2
|
||||||||||||||||||
| Molecular Weight |
278.351
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C#Cc1ccc(cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18O2/c1-19(2,3)17-12-8-15(9-13-17)5-4-14-6-10-16(11-7-14)18(20)21/h6-13H,1-3H3,(H,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ODGSTXCQFQIDED-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: PT01475, Retinoic acid receptor alpha
Protein ID: PT01452, Retinoic acid receptor beta
Protein ID: PT01806, Retinoic acid receptor gamma