General Information of the Compound
| Compound ID |
CP0556988
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9067935, 68
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H18F5N3O2S
|
||||||||||||||||||
| Molecular Weight |
495.473
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(nc2ccc(C)cn12)N(Cc1ccc(c(F)c1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H18F5N3O2S/c1-14-3-10-21-29-22(15(2)30(21)12-14)31(34(32,33)18-7-5-17(24)6-8-18)13-16-4-9-19(20(25)11-16)23(26,27)28/h3-12H,13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OTBGFMIAWXBJBO-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