General Information of the Compound
| Compound ID |
CP0271961
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(E)-2-[2-chloro-4-[[5-[(2,6-dichlorophenoxy)methyl]-3-propan-2-ylimidazol-4-yl]methoxy]phenyl]ethenyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H25Cl3N2O4
|
||||||||||||||||||
| Molecular Weight |
571.888
|
||||||||||||||||||
| Canonical SMILES |
CC(C)n1cnc(COc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H25Cl3N2O4/c1-18(2)34-17-33-26(15-38-28-23(30)7-4-8-24(28)31)27(34)16-37-22-12-11-20(25(32)14-22)10-9-19-5-3-6-21(13-19)29(35)36/h3-14,17-18H,15-16H2,1-2H3,(H,35,36)/b10-9+
Show/Hide
|
||||||||||||||||||
| InChIKey |
LQZYGZRNRVJNBD-MDZDMXLPSA-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