General Information of the Compound
| Compound ID |
CP0444897
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3,6-diethyl-N2-(5-nitropyridin-2-yl)-N5-(pentan-3-yl)pyrazine-2,5-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H26N6O2
|
||||||||||||||||||
| Molecular Weight |
358.446
|
||||||||||||||||||
| Canonical SMILES |
CCC(CC)Nc1nc(CC)c(Nc2ccc(cn2)[N+]([O-])=O)nc1CC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H26N6O2/c1-5-12(6-2)20-17-14(7-3)22-18(15(8-4)21-17)23-16-10-9-13(11-19-16)24(25)26/h9-12H,5-8H2,1-4H3,(H,20,21)(H,19,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DUUQGQLLFQEBIG-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