General Information of the Compound
| Compound ID |
CP0425889
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-(3-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24FNO3
|
||||||||||||||||||
| Molecular Weight |
381.447
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1cccc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24FNO3/c1-25-10-7-20(17-3-2-4-19(24)14-17)21(15-25)23(26)28-11-8-16-5-6-22-18(13-16)9-12-27-22/h2-6,13-14H,7-12,15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GKVMFTGIVUFSRP-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01516, Muscarinic acetylcholine receptor M5