General Information of the Compound
| Compound ID |
CP0379378
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Cyclopentyl-2-hydroxy-N-[1-(5-methyl-thiophen-3-ylmethyl)-piperidin-4-yl]-2-phenyl-acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H32N2O2S
|
||||||||||||||||||
| Molecular Weight |
412.599
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)cs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H32N2O2S/c1-18-15-19(17-29-18)16-26-13-11-22(12-14-26)25-23(27)24(28,21-9-5-6-10-21)20-7-3-2-4-8-20/h2-4,7-8,15,17,21-22,28H,5-6,9-14,16H2,1H3,(H,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HEPQZYCRJHNVCR-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