General Information of the Compound
| Compound ID |
CP0103939
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 4-[4-(2-fluorophenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24FN3O3
|
||||||||||||||||||
| Molecular Weight |
409.461
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24FN3O3/c1-3-30-23(28)17-15-25-21-16(7-6-10-20(21)29-2)22(17)27-13-11-26(12-14-27)19-9-5-4-8-18(19)24/h4-10,15H,3,11-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FGIYNSOZTOFNTM-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