General Information of the Compound
| Compound ID |
CP0424237
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-ethoxy-3-[1-[(3-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26N2O2
|
||||||||||||||||||
| Molecular Weight |
362.473
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc2[nH]cc(C3=CCN(Cc4cccc(OC)c4)CC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26N2O2/c1-3-27-20-7-8-23-21(14-20)22(15-24-23)18-9-11-25(12-10-18)16-17-5-4-6-19(13-17)26-2/h4-9,13-15,24H,3,10-12,16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LNXJKTLOXRPPBG-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01005, D(2) dopamine receptor