General Information of the Compound
| Compound ID |
CP0884731
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(5-(2-tert-butyl-5-(2-(2-(methylsulfonyl)ethylamino)pyrimidin-4-yl)thiazol-4-yl)-2-fluorophenyl)-2,6-difluorobenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26F3N5O4S3
|
||||||||||||||||||
| Molecular Weight |
625.72
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1nc(-c2ccc(F)c(NS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(NCCS(C)(=O)=O)n2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26F3N5O4S3/c1-26(2,3)24-33-21(22(39-24)19-10-11-30-25(32-19)31-12-13-40(4,35)36)15-8-9-16(27)20(14-15)34-41(37,38)23-17(28)6-5-7-18(23)29/h5-11,14,34H,12-13H2,1-4H3,(H,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HZJHQSYVTIOHJV-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