General Information of the Compound
Compound ID |
CP0408731
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
2-[1-diethoxyphosphoryl-2-(3,4-difluorophenyl)ethyl]-3-propan-2-yl-1-benzothiophene
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C23H27F2O3PS
|
||||||||||||||||||
Molecular Weight |
452.503
|
||||||||||||||||||
Canonical SMILES |
CCOP(=O)(OCC)C(Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C(C)C
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C23H27F2O3PS/c1-5-27-29(26,28-6-2)20(14-16-11-12-18(24)19(25)13-16)23-22(15(3)4)17-9-7-8-10-21(17)30-23/h7-13,15,20H,5-6,14H2,1-4H3
Show/Hide
|
||||||||||||||||||
InChIKey |
LMTAJJNHNOKNJI-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