General Information of the Compound
| Compound ID |
CP0482045
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30F2N2O3
|
||||||||||||||||||
| Molecular Weight |
456.533
|
||||||||||||||||||
| Canonical SMILES |
CN1CCCC1CCN(C\C(C)=C\c1ccc(F)cc1F)C(=O)c1ccc2OCCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30F2N2O3/c1-18(14-19-5-7-21(27)16-23(19)28)17-30(11-9-22-4-3-10-29(22)2)26(31)20-6-8-24-25(15-20)33-13-12-32-24/h5-8,14-16,22H,3-4,9-13,17H2,1-2H3/b18-14+
Show/Hide
|
||||||||||||||||||
| InChIKey |
CFKZMRVRBCKIHV-NBVRZTHBSA-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