General Information of the Compound
| Compound ID |
CP0410844
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-(3-nitrophenyl)-N-(3-propan-2-ylphenyl)prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18N2O3
|
||||||||||||||||||
| Molecular Weight |
310.353
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cccc(NC(=O)\C=C\c2cccc(c2)[N+]([O-])=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18N2O3/c1-13(2)15-6-4-7-16(12-15)19-18(21)10-9-14-5-3-8-17(11-14)20(22)23/h3-13H,1-2H3,(H,19,21)/b10-9+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VQDLEEGRGRCKOX-MDZDMXLPSA-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
Protein ID: PT05529, Transient receptor potential cation channel subfamily M member 8
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1