General Information of the Compound
| Compound ID |
CP0576319
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-6-methylsulfonyl-N-propan-2-yl-5H-pyrido[3,4-b]pyrazin-3-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28F2N6O2S
|
||||||||||||||||||
| Molecular Weight |
478.569
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Nc1nc2CN(C=Cc2nc1N1CCN(Cc2ccc(F)cc2F)CC1)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28F2N6O2S/c1-15(2)25-21-22(27-19-6-7-30(33(3,31)32)14-20(19)26-21)29-10-8-28(9-11-29)13-16-4-5-17(23)12-18(16)24/h4-7,12,15H,8-11,13-14H2,1-3H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RXEPGHQEFMQIRP-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 | |||||||||||||||||||
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