General Information of the Compound
| Compound ID |
CP0569721
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-(difluoromethoxy)-5-fluoropyridin-2-yl]-3-methoxy-5,5-dimethyl-6-oxocyclohexene-1-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H15F3N2O3
|
||||||||||||||||||
| Molecular Weight |
340.301
|
||||||||||||||||||
| Canonical SMILES |
COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1OC(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H15F3N2O3/c1-15(2)8-16(23-3,5-9(6-20)13(15)22)12-11(24-14(18)19)4-10(17)7-21-12/h4-5,7,14H,8H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SBUONPYJIJURMT-UHFFFAOYSA-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