General Information of the Compound
| Compound ID |
CP0466147
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-pyridin-4-yl-4-[[3-(trifluoromethyl)phenyl]methylsulfonyl]-3,5-dihydro-2H-1,4-benzoxazepine
Show/Hide
|
||||||||||||||||||
| Formula |
C22H19F3N2O3S
|
||||||||||||||||||
| Molecular Weight |
448.466
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(CS(=O)(=O)N2CCOc3ccc(cc3C2)-c2ccncc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H19F3N2O3S/c23-22(24,25)20-3-1-2-16(12-20)15-31(28,29)27-10-11-30-21-5-4-18(13-19(21)14-27)17-6-8-26-9-7-17/h1-9,12-13H,10-11,14-15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
XCFWDWZDUYRYOZ-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
Protein ID: PT03750, Probable G-protein coupled receptor 142
Protein ID: PT06102, Probable G-protein coupled receptor 142