General Information of the Compound
| Compound ID |
CP0864354
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4''-(acetylethylamino)-3''-tert-butyl-4'-(3-hydroxypropyl)-[1,1';3',1'']terphenyl-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H35NO4
|
||||||||||||||||||
| Molecular Weight |
473.613
|
||||||||||||||||||
| Canonical SMILES |
CCN(C(C)=O)c1ccc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2CCCO)cc1C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35NO4/c1-6-31(20(2)33)28-16-15-25(19-27(28)30(3,4)5)26-18-24(14-11-22(26)8-7-17-32)21-9-12-23(13-10-21)29(34)35/h9-16,18-19,32H,6-8,17H2,1-5H3,(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QCFOVHMQNHZSFD-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