General Information of the Compound
| Compound ID |
CP0419278
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434711, 505
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20F3NO5S2
|
||||||||||||||||||
| Molecular Weight |
487.521
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(O)c1c(sc2ccccc12)N(CCC(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20F3NO5S2/c1-20(2,28)17-15-5-3-4-6-16(15)31-18(17)25(12-11-21(22,23)24)32(29,30)14-9-7-13(8-10-14)19(26)27/h3-10,28H,11-12H2,1-2H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OPRUVEDWLTUYAS-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