General Information of the Compound
| Compound ID |
CP0406016
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Cyclopentyl-2-hydroxy-2-phenyl-N-(1-pyridin-2-ylmethyl-piperidin-4-yl)-acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31N3O2
|
||||||||||||||||||
| Molecular Weight |
393.531
|
||||||||||||||||||
| Canonical SMILES |
OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccccn2)CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31N3O2/c28-23(24(29,20-10-4-5-11-20)19-8-2-1-3-9-19)26-21-13-16-27(17-14-21)18-22-12-6-7-15-25-22/h1-3,6-9,12,15,20-21,29H,4-5,10-11,13-14,16-18H2,(H,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IASYIMACMPYPDM-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