General Information of the Compound
| Compound ID |
CP0512932
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-azepane]-1'-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20ClF3N2O3
|
||||||||||||||||||
| Molecular Weight |
452.86
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc2c(OCC22CCCN(CC2)C(=O)C(=O)Nc2ccc(Cl)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20ClF3N2O3/c23-15-3-5-16(6-4-15)27-19(29)20(30)28-10-1-8-21(9-11-28)13-31-18-12-14(22(24,25)26)2-7-17(18)21/h2-7,12H,1,8-11,13H2,(H,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KXEXKOOAUOZLCL-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