General Information of the Compound
| Compound ID |
CP0450492
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2E,6E)-2-[(4-chlorophenyl)methylidene]-6-[(3,5-dimethoxyphenyl)methylidene]cyclohexan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21ClO3
|
||||||||||||||||||
| Molecular Weight |
368.86
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OC)cc(\C=C2/CCC\C(=C/c3ccc(Cl)cc3)C2=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21ClO3/c1-25-20-12-16(13-21(14-20)26-2)11-18-5-3-4-17(22(18)24)10-15-6-8-19(23)9-7-15/h6-14H,3-5H2,1-2H3/b17-10+,18-11+
Show/Hide
|
||||||||||||||||||
| InChIKey |
YTJPZUZXESULTP-ODPUSEOTSA-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