General Information of the Compound
| Compound ID |
CP0465017
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Cyclopentyl-2-hydroxy-2-phenyl-N-(1-thiophen-3-ylmethyl-piperidin-4-yl)-acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H30N2O2S
|
||||||||||||||||||
| Molecular Weight |
398.572
|
||||||||||||||||||
| Canonical SMILES |
OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccsc2)CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H30N2O2S/c26-22(23(27,20-8-4-5-9-20)19-6-2-1-3-7-19)24-21-10-13-25(14-11-21)16-18-12-15-28-17-18/h1-3,6-7,12,15,17,20-21,27H,4-5,8-11,13-14,16H2,(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DUJZVZNVMYQVAM-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3