General Information of the Compound
| Compound ID |
CP0485775
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[[5-chloro-2-[4-[(4-fluorophenyl)sulfonylamino]-3-methoxyanilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H22ClFN6O4S
|
||||||||||||||||||
| Molecular Weight |
569.018
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1NS(=O)(=O)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H22ClFN6O4S/c1-3-24(35)30-17-5-4-6-18(13-17)31-25-21(27)15-29-26(33-25)32-19-9-12-22(23(14-19)38-2)34-39(36,37)20-10-7-16(28)8-11-20/h3-15,34H,1H2,2H3,(H,30,35)(H2,29,31,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXLVLFLNUBHGRJ-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