General Information of the Compound
| Compound ID |
CP0112627
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)pyridin-2-yl]amino]phenyl]piperidine-1-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20F2N8O2S
|
||||||||||||||||||
| Molecular Weight |
486.508
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(NS(=O)(=O)N2CCCCC2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20F2N8O2S/c22-14-6-7-15(30-34(32,33)31-9-2-1-3-10-31)16(23)18(14)29-20-13(5-4-8-24-20)17-19-21(27-11-25-17)28-12-26-19/h4-8,11-12,30H,1-3,9-10H2,(H,24,29)(H,25,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IZHJQYWDFVOZBF-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
Protein ID: PT01381, Serine/threonine-protein kinase B-raf