General Information of the Compound
| Compound ID |
CP0544999
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[(E)-2-[3,5-dimethoxy-2-[(E)-2-nitroethenyl]phenyl]ethenyl]phenyl]furan-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20N2O6
|
||||||||||||||||||
| Molecular Weight |
420.421
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OC)c(\C=C\[N+]([O-])=O)c(\C=C\c2ccc(NC(=O)c3ccco3)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20N2O6/c1-29-19-14-17(20(11-12-25(27)28)22(15-19)30-2)8-5-16-6-9-18(10-7-16)24-23(26)21-4-3-13-31-21/h3-15H,1-2H3,(H,24,26)/b8-5+,12-11+
Show/Hide
|
||||||||||||||||||
| InChIKey |
HOPNWVAJWVCASY-CQYWEGEGSA-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 | |||||||||||||||||||
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
Protein ID: PT03356, NACHT, LRR and PYD domains-containing protein 3
Protein ID: PT03614, NACHT, LRR and PYD domains-containing protein 3