General Information of the Compound
| Compound ID |
CP0556198
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-(1-benzofuran-6-yloxy)pyridin-3-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21N3O3
|
||||||||||||||||||
| Molecular Weight |
411.461
|
||||||||||||||||||
| Canonical SMILES |
O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2ccoc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21N3O3/c29-25(28-13-12-27(18-6-7-18)21-3-1-2-4-22(21)28)20-16-26-11-9-23(20)31-19-8-5-17-10-14-30-24(17)15-19/h1-5,8-11,14-16,18H,6-7,12-13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
FKSIHABGGOIYDY-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: PT02509, G-protein coupled bile acid receptor 1
Protein ID: PT04975, G-protein coupled bile acid receptor 1