General Information of the Compound
| Compound ID |
CP0496494
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[2-amino-4-(butylamino)pyrido[3,2-d]pyrimidin-6-yl]methyl]benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20N6
|
||||||||||||||||||
| Molecular Weight |
332.411
|
||||||||||||||||||
| Canonical SMILES |
CCCCNc1nc(N)nc2ccc(Cc3ccc(cc3)C#N)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20N6/c1-2-3-10-22-18-17-16(24-19(21)25-18)9-8-15(23-17)11-13-4-6-14(12-20)7-5-13/h4-9H,2-3,10-11H2,1H3,(H3,21,22,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WLHOGUHIXYVTOJ-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
Protein ID: PT02160, Toll-like receptor 7
Protein ID: PT02546, Toll-like receptor 8