General Information of the Compound
| Compound ID |
CP0133700
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[4-Methoxy-3-(1-methyl-cyclohexyl)-phenyl]-naphthalene-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26O3
|
||||||||||||||||||
| Molecular Weight |
374.48
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1C1(C)CCCCC1)-c1ccc2cc(ccc2c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26O3/c1-25(12-4-3-5-13-25)22-16-20(10-11-23(22)28-2)18-6-7-19-15-21(24(26)27)9-8-17(19)14-18/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SWIWERVMTLKNLQ-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
143984-56-9
|
||||||||||||||||||
| 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: PT01621, Retinoic acid receptor alpha
Protein ID: PT02120, Retinoic acid receptor beta
Protein ID: PT02121, Retinoic acid receptor gamma