General Information of the Compound
| Compound ID |
CP0431815
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]aniline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25NO2
|
||||||||||||||||||
| Molecular Weight |
347.458
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(CCc2ccccc2NCc2cccc(OC)c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25NO2/c1-25-21-10-5-7-18(15-21)13-14-20-9-3-4-12-23(20)24-17-19-8-6-11-22(16-19)26-2/h3-12,15-16,24H,13-14,17H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DRROXUBCBJIALG-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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2