General Information of the Compound
| Compound ID |
CP0579229
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[5-(2-aminopyrimidin-4-yl)-2-(1-cyclopropylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H25F3N6O2S2
|
||||||||||||||||||
| Molecular Weight |
586.665
|
||||||||||||||||||
| Canonical SMILES |
Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1CCN(CC1)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H25F3N6O2S2/c28-16-4-7-19(29)22(14-16)40(37,38)35-20-3-1-2-18(23(20)30)24-25(21-8-11-32-27(31)33-21)39-26(34-24)15-9-12-36(13-10-15)17-5-6-17/h1-4,7-8,11,14-15,17,35H,5-6,9-10,12-13H2,(H2,31,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GQNWRWISEOKRCC-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