General Information of the Compound
| Compound ID |
CP0486421
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-(4-Benzo[1,3]dioxol-5-yl-3,6-dihydro-2H-pyridin-1-yl)-butyl]-5-methoxy-1H-indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28N2O3
|
||||||||||||||||||
| Molecular Weight |
404.51
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccc4OCOc4c3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28N2O3/c1-28-21-6-7-23-22(15-21)20(16-26-23)4-2-3-11-27-12-9-18(10-13-27)19-5-8-24-25(14-19)30-17-29-24/h5-9,14-16,26H,2-4,10-13,17H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UNWPOGGIFDUAHY-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