General Information of the Compound
| Compound ID |
CP0046933
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(-)-(R)-2-(1-(2-(2-(pyrrolidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24N2S
|
||||||||||||||||||
| Molecular Weight |
336.504
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](c1c(CCN2CCCC2)sc2ccccc12)c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24N2S/c1-16(18-9-4-5-12-22-18)21-17-8-2-3-10-19(17)24-20(21)11-15-23-13-6-7-14-23/h2-5,8-10,12,16H,6-7,11,13-15H2,1H3/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GDVOQNXWYQVYJH-INIZCTEOSA-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: PT01206, Histamine H1 receptor
Protein ID: PT01310, Muscarinic acetylcholine receptor M1