General Information of the Compound
| Compound ID |
CP0557747
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9067935, 16
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H14Cl2FN3O2S
|
||||||||||||||||||
| Molecular Weight |
450.322
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(CN(c2nc3ccc(Cl)cn3c2Cl)S(=O)(=O)c2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H14Cl2FN3O2S/c21-15-8-11-18-24-20(19(22)25(18)13-15)26(12-14-6-9-16(23)10-7-14)29(27,28)17-4-2-1-3-5-17/h1-11,13H,12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
CRKHCUNVJZWRJT-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