General Information of the Compound
| Compound ID |
CP0376760
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-2-((R)-3,3-Difluoro-cyclopentyl)-2-hydroxy-1-[4-(2-methylamino-ethyl)-piperidin-1-yl]-2-phenyl-ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H30F2N2O2
|
||||||||||||||||||
| Molecular Weight |
380.479
|
||||||||||||||||||
| Canonical SMILES |
CNCCC1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H30F2N2O2/c1-24-12-8-16-9-13-25(14-10-16)19(26)21(27,17-5-3-2-4-6-17)18-7-11-20(22,23)15-18/h2-6,16,18,24,27H,7-15H2,1H3/t18-,21+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KXVFQXVLMGMAOA-NQIIRXRSSA-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