General Information of the Compound
| Compound ID |
CP0479861
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9067935, 99
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H17ClF3N5O2S
|
||||||||||||||||||
| Molecular Weight |
531.947
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(CN(c2nc3ccccn3c2Cl)S(=O)(=O)c2ccc(cc2)-n2cccn2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H17ClF3N5O2S/c25-22-23(30-21-7-1-2-13-31(21)22)33(16-17-5-3-6-18(15-17)24(26,27)28)36(34,35)20-10-8-19(9-11-20)32-14-4-12-29-32/h1-15H,16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
DKIXSAPFTXVQEZ-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