General Information of the Compound
| Compound ID |
CP0421717
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 4-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Formula |
C23H25N3O3
|
||||||||||||||||||
| Molecular Weight |
391.471
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1cnc2ccccc2c1N1CCN(CC1)c1ccccc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25N3O3/c1-3-29-23(27)18-16-24-19-9-5-4-8-17(19)22(18)26-14-12-25(13-15-26)20-10-6-7-11-21(20)28-2/h4-11,16H,3,12-15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HWSYVEWTRYCHFS-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 | |||||||||||||||||||
| 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