General Information of the Compound
| Compound ID |
CP0543062
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2E,6E)-2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-4-methyl-6-[(3,5,6-trimethylpyrazin-2-yl)methylidene]cyclohexan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27BrN2O3
|
||||||||||||||||||
| Molecular Weight |
471.395
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Br)c(\C=C2/CC(C)C\C(=C/c3nc(C)c(C)nc3C)C2=O)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27BrN2O3/c1-13-7-18(9-17-11-22(29-5)23(30-6)12-20(17)25)24(28)19(8-13)10-21-16(4)26-14(2)15(3)27-21/h9-13H,7-8H2,1-6H3/b18-9+,19-10+
Show/Hide
|
||||||||||||||||||
| InChIKey |
IZHPQHLLMBTVPM-VNIJRHKQSA-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