General Information of the Compound
| Compound ID |
CP0489024
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[[5-(3,5-difluorophenyl)-4-[[(2R)-morpholin-2-yl]methylamino]pyridin-2-yl]amino]pyrazine-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Formula |
C21H19F2N7O
|
||||||||||||||||||
| Molecular Weight |
423.427
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(F)cc(c1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19F2N7O/c22-14-3-13(4-15(23)5-14)18-11-29-20(30-21-12-26-16(7-24)8-28-21)6-19(18)27-10-17-9-25-1-2-31-17/h3-6,8,11-12,17,25H,1-2,9-10H2,(H2,27,28,29,30)/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ROOGMAGZWKFKAL-QGZVFWFLSA-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 | |||||||||||||||||||
| 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