General Information of the Compound
| Compound ID |
CP0408730
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-diethoxyphosphoryl-2-(3,4-difluorophenyl)ethyl]-1-benzothiophene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21F2O3PS
|
||||||||||||||||||
| Molecular Weight |
410.422
|
||||||||||||||||||
| Canonical SMILES |
CCOP(=O)(OCC)C(Cc1ccc(F)c(F)c1)c1cc2ccccc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21F2O3PS/c1-3-24-26(23,25-4-2)18(12-14-9-10-16(21)17(22)11-14)20-13-15-7-5-6-8-19(15)27-20/h5-11,13,18H,3-4,12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OHAAVQXWGVFRQO-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