General Information of the Compound
| Compound ID |
CP0568216
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H25N3O2S2
|
||||||||||||||||||
| Molecular Weight |
391.562
|
||||||||||||||||||
| Canonical SMILES |
Cn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H25N3O2S2/c1-21-12-9-20-19(21)25-14-15-7-10-22(11-8-15)26(23,24)18-6-5-16-3-2-4-17(16)13-18/h5-6,9,12-13,15H,2-4,7-8,10-11,14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VSJNDYSHLLWCKE-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 | |||||||||||||||||||
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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01516, Muscarinic acetylcholine receptor M5