General Information of the Compound
| Compound ID |
CP0531478
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434711, 311
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H13ClF4N2O2S2
|
||||||||||||||||||
| Molecular Weight |
500.926
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(CN(c2cc3ccccc3s2)S(=O)(=O)c2ccc(Cl)nc2)cc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H13ClF4N2O2S2/c22-19-8-6-15(11-27-19)32(29,30)28(20-10-14-3-1-2-4-18(14)31-20)12-13-5-7-17(23)16(9-13)21(24,25)26/h1-11H,12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NEOVWOIBWAQPQZ-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