General Information of the Compound
| Compound ID |
CP0445303
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2E,6E)-2-[(3,5-dimethoxyphenyl)methylidene]-6-[(4-methylsulfonylphenyl)methylidene]cyclohexan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24O5S
|
||||||||||||||||||
| Molecular Weight |
412.507
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OC)cc(\C=C2/CCC\C(=C/c3ccc(cc3)S(C)(=O)=O)C2=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24O5S/c1-27-20-13-17(14-21(15-20)28-2)12-19-6-4-5-18(23(19)24)11-16-7-9-22(10-8-16)29(3,25)26/h7-15H,4-6H2,1-3H3/b18-11+,19-12+
Show/Hide
|
||||||||||||||||||
| InChIKey |
KCKFFUAUNCDZHZ-GDAWTGGTSA-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