General Information of the Compound
| Compound ID |
CP0416318
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Z)-4-(Cyclohexylmethoxy)-2-(4-nitrobenzylidene)benzofuran-3(2H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21NO5
|
||||||||||||||||||
| Molecular Weight |
379.412
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1ccc(\C=C2/Oc3cccc(OCC4CCCCC4)c3C2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21NO5/c24-22-20(13-15-9-11-17(12-10-15)23(25)26)28-19-8-4-7-18(21(19)22)27-14-16-5-2-1-3-6-16/h4,7-13,16H,1-3,5-6,14H2/b20-13-
Show/Hide
|
||||||||||||||||||
| InChIKey |
AIZOFFYQIHSUAD-MOSHPQCFSA-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