General Information of the Compound
| Compound ID |
CP0457225
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(benzo[b]thiophen-3-yl)phenyl)-6-morpholino-4H-thiopyran-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19NO2S2
|
||||||||||||||||||
| Molecular Weight |
405.544
|
||||||||||||||||||
| Canonical SMILES |
O=c1cc(sc(c1)-c1ccc(cc1)-c1csc2ccccc12)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19NO2S2/c25-18-13-22(28-23(14-18)24-9-11-26-12-10-24)17-7-5-16(6-8-17)20-15-27-21-4-2-1-3-19(20)21/h1-8,13-15H,9-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
ABOSKNBFTLZPNO-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