General Information of the Compound
| Compound ID |
CP0447972
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-2-((R)-3,3-Difluoro-cyclopentyl)-2-hydroxy-2-phenyl-1-piperazin-1-yl-ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H22F2N2O2
|
||||||||||||||||||
| Molecular Weight |
324.371
|
||||||||||||||||||
| Canonical SMILES |
O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)N1CCNCC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H22F2N2O2/c18-16(19)7-6-14(12-16)17(23,13-4-2-1-3-5-13)15(22)21-10-8-20-9-11-21/h1-5,14,20,23H,6-12H2/t14-,17+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XSIRNWJXBZIYEQ-PBHICJAKSA-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