General Information of the Compound
| Compound ID |
CP0419646
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9422235, 6
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19F3N2O3S
|
||||||||||||||||||
| Molecular Weight |
400.422
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19F3N2O3S/c1-26-15-7-4-13(5-8-15)23-14-6-9-17(16(10-14)18(19,20)21)27(24,25)22-11-12-2-3-12/h4-10,12,22-23H,2-3,11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RQDPQMBLUCPNJT-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