General Information of the Compound
| Compound ID |
CP0449011
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-[(Z)-5-(4-methoxyphenyl)-3-methylpent-2-en-4-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H22N2O2
|
||||||||||||||||||
| Molecular Weight |
310.397
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C#C\C(C)=C/CO\N=C1\CN2CCC1C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22N2O2/c1-15(3-4-16-5-7-18(22-2)8-6-16)10-12-23-20-19-14-21-11-9-17(19)13-21/h5-8,10,17H,9,11-14H2,1-2H3/b15-10-,20-19-
Show/Hide
|
||||||||||||||||||
| InChIKey |
GZKRTTMTYORGJF-VGWMENCHSA-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