General Information of the Compound
| Compound ID |
CP0540126
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(difluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20F3N3O2
|
||||||||||||||||||
| Molecular Weight |
427.426
|
||||||||||||||||||
| Canonical SMILES |
FC(F)c1ccc(NC(=O)C(=O)N2CCC(CC2)c2ccnc3ccc(F)cc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20F3N3O2/c24-16-3-6-20-19(13-16)18(7-10-27-20)14-8-11-29(12-9-14)23(31)22(30)28-17-4-1-15(2-5-17)21(25)26/h1-7,10,13-14,21H,8-9,11-12H2,(H,28,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZZZZEJJXQQRZBH-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