General Information of the Compound
| Compound ID |
CP0380673
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(4-methyl-pent-3-enyl)-piperidin-4-yl]-2-phenyl-acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H34F2N2O2
|
||||||||||||||||||
| Molecular Weight |
420.544
|
||||||||||||||||||
| Canonical SMILES |
CC(C)=CCCN1CCC(CC1)NC(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H34F2N2O2/c1-18(2)7-6-14-28-15-11-21(12-16-28)27-22(29)24(30,19-8-4-3-5-9-19)20-10-13-23(25,26)17-20/h3-5,7-9,20-21,30H,6,10-17H2,1-2H3,(H,27,29)/t20-,24+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KYYKFSMOYWOWFU-YKSBVNFPSA-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