General Information of the Compound
| Compound ID |
CP0552703
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 8-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]quinoline-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Formula |
C24H27N3O3
|
||||||||||||||||||
| Molecular Weight |
405.498
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N3O3/c1-4-30-24(28)19-16-25-22-18(9-7-11-21(22)29-3)23(19)27-14-12-26(13-15-27)20-10-6-5-8-17(20)2/h5-11,16H,4,12-15H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PFULRXSHHBVYJO-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