General Information of the Compound
| Compound ID |
CP0497865
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(3-methoxyphenoxy)pyridin-3-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23N3O3
|
||||||||||||||||||
| Molecular Weight |
401.466
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23N3O3/c1-29-18-5-4-6-19(15-18)30-23-11-12-25-16-20(23)24(28)27-14-13-26(17-9-10-17)21-7-2-3-8-22(21)27/h2-8,11-12,15-17H,9-10,13-14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GMYIRAMSQWVPGP-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