General Information of the Compound
| Compound ID |
CP0846355
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(benzo[d][1,3]dioxol-5-ylmethyl)-N-(3,4-dimethoxyphenethyl)-3-(3-methoxyphenyl)propan-1-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H33NO5
|
||||||||||||||||||
| Molecular Weight |
463.574
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(CCCN(CCc2ccc(OC)c(OC)c2)Cc2ccc3c(c2)OCO3)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H33NO5/c1-30-24-8-4-6-21(16-24)7-5-14-29(19-23-10-12-26-28(18-23)34-20-33-26)15-13-22-9-11-25(31-2)27(17-22)32-3/h4,6,8-12,16-18H,5,7,13-15,19-20H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KXLGJQORDAMVDD-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C