General Information of the Compound
| Compound ID |
CP0522504
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-(3-bromophenyl)-1-diethoxyphosphorylethyl]-3-methyl-1-benzothiophene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24BrO3PS
|
||||||||||||||||||
| Molecular Weight |
467.365
|
||||||||||||||||||
| Canonical SMILES |
CCOP(=O)(OCC)C(Cc1cccc(Br)c1)c1sc2ccccc2c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24BrO3PS/c1-4-24-26(23,25-5-2)19(14-16-9-8-10-17(22)13-16)21-15(3)18-11-6-7-12-20(18)27-21/h6-13,19H,4-5,14H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OETBBVVUMIFEFX-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