General Information of the Compound
| Compound ID |
CP0956605
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(cyclopropylamino)-3-(4-(2-fluoro-4-methoxybenzoyl)piperidin-1-yl)pyrido[3,4-b]pyrazine-5-carbonitrile 2,2,2-trifluoroacetic acid salt
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H24F4N6O4
|
||||||||||||||||||
| Molecular Weight |
560.508
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C(=O)C2CCN(c3nc4c(C#N)nccc4nc3NC3CC3)CC2)c(F)c1.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23FN6O2.C2HF3O2/c1-33-16-4-5-17(18(25)12-16)22(32)14-7-10-31(11-8-14)24-23(28-15-2-3-15)29-19-6-9-27-20(13-26)21(19)30-24;3-2(4,5)1(6)7/h4-6,9,12,14-15H,2-3,7-8,10-11H2,1H3,(H,28,29);(H,6,7)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RWBWUGPCRYTPPT-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