General Information of the Compound
| Compound ID |
CP0556984
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9067935, 4
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H13BrF3N3O3S
|
||||||||||||||||||
| Molecular Weight |
464.263
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccn2c1Br
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H13BrF3N3O3S/c1-27(24,25)23(15-14(17)22-9-3-2-4-13(22)21-15)10-11-5-7-12(8-6-11)26-16(18,19)20/h2-9H,10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YWQBSQAASWZSLQ-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