General Information of the Compound
| Compound ID |
CP0405244
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(methoxymethoxy)-5-(1,6-naphthyridin-7-yl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H13N3O2
|
||||||||||||||||||
| Molecular Weight |
291.31
|
||||||||||||||||||
| Canonical SMILES |
COCOc1cc(cc(c1)-c1cc2ncccc2cn1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H13N3O2/c1-21-11-22-15-6-12(9-18)5-14(7-15)17-8-16-13(10-20-17)3-2-4-19-16/h2-8,10H,11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GDBZTNGBLSQNGX-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