General Information of the Compound
| Compound ID |
CP0161011
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-methylbutyl)-2-oxo-4-(4-pyridin-4-yloxyphenyl)pyridine-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21N3O2
|
||||||||||||||||||
| Molecular Weight |
359.429
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CCn1ccc(-c2ccc(Oc3ccncc3)cc2)c(C#N)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21N3O2/c1-16(2)9-13-25-14-10-20(21(15-23)22(25)26)17-3-5-18(6-4-17)27-19-7-11-24-12-8-19/h3-8,10-12,14,16H,9,13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RNWRRQVSNDRPHV-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