General Information of the Compound
| Compound ID |
CP0379405
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-1-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-cyclopentyl-2-hydroxy-2-phenyl-ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H30N2O2
|
||||||||||||||||||
| Molecular Weight |
330.472
|
||||||||||||||||||
| Canonical SMILES |
NCCC1CCN(CC1)C(=O)[C@@](O)(C1CCCC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H30N2O2/c21-13-10-16-11-14-22(15-12-16)19(23)20(24,18-8-4-5-9-18)17-6-2-1-3-7-17/h1-3,6-7,16,18,24H,4-5,8-15,21H2/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GQDOZDXWIPGDGI-FQEVSTJZSA-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