General Information of the Compound
| Compound ID |
CP0090744
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)pyridin-2-yl]amino]phenyl]-1-phenylmethanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H17F2N7O2S
|
||||||||||||||||||
| Molecular Weight |
493.499
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(NS(=O)(=O)Cc2ccccc2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H17F2N7O2S/c24-16-8-9-17(32-35(33,34)11-14-5-2-1-3-6-14)18(25)20(16)31-22-15(7-4-10-26-22)19-21-23(29-12-27-19)30-13-28-21/h1-10,12-13,32H,11H2,(H,26,31)(H,27,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KXZXQWZNHDHQET-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