General Information of the Compound
| Compound ID |
CP0533333
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-[(2,6-difluorophenyl)methoxy]ethylsulfanyl]-5-[2-(3,4-dimethoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H29F3N2O3S
|
||||||||||||||||||
| Molecular Weight |
542.623
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOCc2c(F)cccc2F)n1-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H29F3N2O3S/c1-29(2,19-8-13-25(35-3)26(16-19)36-4)27-17-33-28(34(27)21-11-9-20(30)10-12-21)38-15-14-37-18-22-23(31)6-5-7-24(22)32/h5-13,16-17H,14-15,18H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YYUYPNGMKLCURX-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