General Information of the Compound
| Compound ID |
CP0378876
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(2-methyl-6-trifluoromethyl-pyridin-3-yl)-acrylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15F3N2O3
|
||||||||||||||||||
| Molecular Weight |
364.323
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(ccc1\C=C\C(=O)Nc1ccc2OCCOc2c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15F3N2O3/c1-11-12(2-6-16(22-11)18(19,20)21)3-7-17(24)23-13-4-5-14-15(10-13)26-9-8-25-14/h2-7,10H,8-9H2,1H3,(H,23,24)/b7-3+
Show/Hide
|
||||||||||||||||||
| InChIKey |
BCLVOHWVSOVRMZ-XVNBXDOJSA-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