General Information of the Compound
| Compound ID |
CP0378711
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-N-butyl-6-methyl-5-[3-(1,2,4-triazol-1-yl)propyl]pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H23N7
|
||||||||||||||||||
| Molecular Weight |
289.387
|
||||||||||||||||||
| Canonical SMILES |
CCCCNc1nc(N)nc(C)c1CCCn1cncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H23N7/c1-3-4-7-17-13-12(11(2)19-14(15)20-13)6-5-8-21-10-16-9-18-21/h9-10H,3-8H2,1-2H3,(H3,15,17,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DANRWCWGDHTZPU-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
Protein ID: PT02160, Toll-like receptor 7
Protein ID: PT02546, Toll-like receptor 8