General Information of the Compound
| Compound ID |
CP0564726
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-chloro-2-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)azepan-1-yl]-2-oxoacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20ClF2N3O2
|
||||||||||||||||||
| Molecular Weight |
443.881
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2nccc(C3CCCN(CC3)C(=O)C(=O)Nc3ccc(Cl)cc3F)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20ClF2N3O2/c24-15-3-5-21(19(26)12-15)28-22(30)23(31)29-10-1-2-14(8-11-29)17-7-9-27-20-6-4-16(25)13-18(17)20/h3-7,9,12-14H,1-2,8,10-11H2,(H,28,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JGANSMIWYRCQFA-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: PT01557, Indoleamine 2,3-dioxygenase 1
Protein ID: PT02896, Tryptophan 2,3-dioxygenase