General Information of the Compound
| Compound ID |
CP0440162
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4583597
Show/Hide
|
||||||||||||||||||
| Formula |
C24H30N4O2
|
||||||||||||||||||
| Molecular Weight |
406.53
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N1CCC2(CC(C2)N2C[C@H]3[C@@H](C2)[C@H]3c2nccn2-c2ccccc2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30N4O2/c1-2-30-23(29)26-10-8-24(16-26)12-18(13-24)27-14-19-20(15-27)21(19)22-25-9-11-28(22)17-6-4-3-5-7-17/h3-7,9,11,18-21H,2,8,10,12-16H2,1H3/t18?,19-,20+,21-,24?
Show/Hide
|
||||||||||||||||||
| InChIKey |
BHYVFGZLOZEIHN-FFXUDUMNSA-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 | |||||||||||||||||||
| 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: PT01156, Muscarinic acetylcholine receptor M4