General Information of the Compound
| Compound ID |
CP0528742
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3,6-diethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H28F3N3O2
|
||||||||||||||||||
| Molecular Weight |
411.468
|
||||||||||||||||||
| Canonical SMILES |
CCC(CC)Nc1nc(CC)c(nc1CC)-c1ccc(OC(F)(F)F)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H28F3N3O2/c1-6-13(7-2)25-20-17(9-4)26-19(16(8-3)27-20)15-11-10-14(12-18(15)28-5)29-21(22,23)24/h10-13H,6-9H2,1-5H3,(H,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MDSPZTORNYELFQ-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