General Information of the Compound
| Compound ID |
CP0391805
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methyl-2-phenylbut-1-enyl]phenyl] acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H33NO3
|
||||||||||||||||||
| Molecular Weight |
443.587
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C(=C(\c1ccc(OCCN(C)C)cc1)c1ccc(OC(C)=O)cc1)\c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33NO3/c1-21(2)28(23-9-7-6-8-10-23)29(25-13-17-27(18-14-25)33-22(3)31)24-11-15-26(16-12-24)32-20-19-30(4)5/h6-18,21H,19-20H2,1-5H3/b29-28+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZTAZBLSYCOAIDZ-ZQHSETAFSA-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: PT03765, Estrogen-related receptor gamma
Protein ID: PT02640, Steroid hormone receptor ERR2