General Information of the Compound
| Compound ID |
CP0471293
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9422235, 46
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24F3N3O3S
|
||||||||||||||||||
| Molecular Weight |
455.502
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cc(Nc2ccc(cc2)N2CCOCC2)ccc1S(=O)(=O)NCC1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24F3N3O3S/c22-21(23,24)19-13-17(5-8-20(19)31(28,29)25-14-15-1-2-15)26-16-3-6-18(7-4-16)27-9-11-30-12-10-27/h3-8,13,15,25-26H,1-2,9-12,14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MDDNZOKBKQOTRW-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