General Information of the Compound
| Compound ID |
CP0573030
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-(aminomethyl)-4-methylpiperidin-1-yl)-3-((2-(trifluoromethyl)pyridin-3-yl)thio)pyrazin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H21F3N6S
|
||||||||||||||||||
| Molecular Weight |
398.458
|
||||||||||||||||||
| Canonical SMILES |
CC1(CN)CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H21F3N6S/c1-16(10-21)4-7-26(8-5-16)12-9-24-15(14(22)25-12)27-11-3-2-6-23-13(11)17(18,19)20/h2-3,6,9H,4-5,7-8,10,21H2,1H3,(H2,22,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JBLYMVJAFCDNOA-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