General Information of the Compound
| Compound ID |
CP0570492
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[(E)-2-[3,5-dimethoxy-2-[(E)-2-nitroethenyl]phenyl]ethenyl]phenyl]naphthalene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H24N2O5
|
||||||||||||||||||
| Molecular Weight |
480.52
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OC)c(\C=C\[N+]([O-])=O)c(\C=C\c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H24N2O5/c1-35-26-18-23(27(15-16-31(33)34)28(19-26)36-2)10-7-20-8-13-25(14-9-20)30-29(32)24-12-11-21-5-3-4-6-22(21)17-24/h3-19H,1-2H3,(H,30,32)/b10-7+,16-15+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZXJCYAIBXIPIBF-PHGQORFOSA-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