General Information of the Compound
| Compound ID |
CP0516427
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(2S,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]-N,N-dimethylmethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H29NO2
|
||||||||||||||||||
| Molecular Weight |
303.446
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C[C@H]1COC[C@](O1)(C1CCCCC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H29NO2/c1-20(2)13-18-14-21-15-19(22-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3,5-6,9-10,17-18H,4,7-8,11-15H2,1-2H3/t18-,19+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UOKGNINOAYOIDX-RBUKOAKNSA-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
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5