General Information of the Compound
| Compound ID |
CP0124552
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(5-amino-7-((2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)(methyl)amino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25F2N9
|
||||||||||||||||||
| Molecular Weight |
489.534
|
||||||||||||||||||
| Canonical SMILES |
CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1cccc(c1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25F2N9/c1-33(7-8-34-9-11-35(12-10-34)21-6-5-19(26)14-20(21)27)22-15-23-30-24(32-36(23)25(29)31-22)18-4-2-3-17(13-18)16-28/h2-6,13-15H,7-12H2,1H3,(H2,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZPTQAAHWOAPCNM-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