General Information of the Compound
| Compound ID |
CP0499037
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28F2N2O3
|
||||||||||||||||||
| Molecular Weight |
442.506
|
||||||||||||||||||
| Canonical SMILES |
CN1CCCC1CCN(C\C(C)=C\c1ccc(F)cc1F)C(=O)c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28F2N2O3/c1-17(12-18-5-7-20(26)14-22(18)27)15-29(11-9-21-4-3-10-28(21)2)25(30)19-6-8-23-24(13-19)32-16-31-23/h5-8,12-14,21H,3-4,9-11,15-16H2,1-2H3/b17-12+
Show/Hide
|
||||||||||||||||||
| InChIKey |
LGXNUYMZXQMEGB-SFQUDFHCSA-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