General Information of the Compound
| Compound ID |
CP0561979
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434711, 725
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23F4NO3S2
|
||||||||||||||||||
| Molecular Weight |
489.556
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)CCC(C)(C)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23F4NO3S2/c1-14-16-6-4-5-7-19(16)31-20(14)27(32(29,30)11-10-21(2,3)28)13-15-8-9-18(23)17(12-15)22(24,25)26/h4-9,12,28H,10-11,13H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BULZDEQQBNMYJE-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