General Information of the Compound
| Compound ID |
CP0452167
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Z)-4-{[4-(Cyclohexylmethoxy)-3-oxobenzofuran-2(3H)-ylidene]methyl}benzaldehyde
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22O4
|
||||||||||||||||||
| Molecular Weight |
362.425
|
||||||||||||||||||
| Canonical SMILES |
O=Cc1ccc(\C=C2/Oc3cccc(OCC4CCCCC4)c3C2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22O4/c24-14-17-11-9-16(10-12-17)13-21-23(25)22-19(7-4-8-20(22)27-21)26-15-18-5-2-1-3-6-18/h4,7-14,18H,1-3,5-6,15H2/b21-13-
Show/Hide
|
||||||||||||||||||
| InChIKey |
WBYPTZQRQQDVKP-BKUYFWCQSA-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