General Information of the Compound
| Compound ID |
CP0395070
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Z)-N-[(E)-5-(3,4-dichlorophenyl)-3-methylpent-2-en-4-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18Cl2N2O
|
||||||||||||||||||
| Molecular Weight |
349.261
|
||||||||||||||||||
| Canonical SMILES |
C\C(=C/CO\N=C1/CN2CCC1C2)C#Cc1ccc(Cl)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18Cl2N2O/c1-13(2-3-14-4-5-16(19)17(20)10-14)7-9-23-21-18-12-22-8-6-15(18)11-22/h4-5,7,10,15H,6,8-9,11-12H2,1H3/b13-7+,21-18+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VTEJZMXBJRKXDX-YWSKEXGGSA-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