General Information of the Compound
| Compound ID |
CP0409711
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-(4-hydroxybutoxy)phenyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H39NO4
|
||||||||||||||||||
| Molecular Weight |
489.656
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)c1ccc(cc1C(C)(C)C)-c1cc(ccc1OCCCCO)-c1ccc(cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H39NO4/c1-6-32(7-2)28-16-14-25(21-27(28)31(3,4)5)26-20-24(15-17-29(26)36-19-9-8-18-33)22-10-12-23(13-11-22)30(34)35/h10-17,20-21,33H,6-9,18-19H2,1-5H3,(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MFJSSFBKCJUROC-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