General Information of the Compound
| Compound ID |
CP0404393
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2,6-dimethoxyphenoxy)-N-[(3-phenyl-3,4-dihydro-2H-chromen-2-yl)methyl]ethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29NO4
|
||||||||||||||||||
| Molecular Weight |
419.521
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(OC)c1OCCNCC1Oc2ccccc2CC1c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29NO4/c1-28-23-13-8-14-24(29-2)26(23)30-16-15-27-18-25-21(19-9-4-3-5-10-19)17-20-11-6-7-12-22(20)31-25/h3-14,21,25,27H,15-18H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YNZFNGNFBKOQRH-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor