General Information of the Compound
| Compound ID |
CP0515481
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-butyl-4-[4-(2,6-dimethylpyridin-4-yl)oxy-3-fluorophenyl]-2-oxopyridine-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22FN3O2
|
||||||||||||||||||
| Molecular Weight |
391.446
|
||||||||||||||||||
| Canonical SMILES |
CCCCn1ccc(-c2ccc(Oc3cc(C)nc(C)c3)c(F)c2)c(C#N)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22FN3O2/c1-4-5-9-27-10-8-19(20(14-25)23(27)28)17-6-7-22(21(24)13-17)29-18-11-15(2)26-16(3)12-18/h6-8,10-13H,4-5,9H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WUPNJYUPJDFBLX-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