General Information of the Compound
| Compound ID |
CP0502600
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[9-[(4-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26ClN3OS
|
||||||||||||||||||
| Molecular Weight |
403.979
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(cs1)C(=O)N1CCCC2(CCN(Cc3ccc(Cl)cc3)CC2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26ClN3OS/c1-16-23-19(14-27-16)20(26)25-10-2-7-21(15-25)8-11-24(12-9-21)13-17-3-5-18(22)6-4-17/h3-6,14H,2,7-13,15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FXYMZHCQKFWAQZ-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: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3