General Information of the Compound
| Compound ID |
CP0578898
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(6-methylpyridin-3-yl)-2-oxo-8-propyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21ClN4O
|
||||||||||||||||||
| Molecular Weight |
344.846
|
||||||||||||||||||
| Canonical SMILES |
Cl.CCCC1CNCc2c1[nH]c(=O)c(C#N)c2-c1ccc(C)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20N4O.ClH/c1-3-4-13-8-20-10-15-16(12-6-5-11(2)21-9-12)14(7-19)18(23)22-17(13)15;/h5-6,9,13,20H,3-4,8,10H2,1-2H3,(H,22,23);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
CVJWTNKSZKZIBD-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 | |||||||||||||||||||
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