General Information of the Compound
| Compound ID |
CP0444990
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434711, 684
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H14F3N3O3S3
|
||||||||||||||||||
| Molecular Weight |
485.534
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)CCN(c1cc2ccccc2s1)S(=O)(=O)c1ccc(cc1)-c1nsc(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H14F3N3O3S3/c20-19(21,22)9-10-25(16-11-13-3-1-2-4-15(13)29-16)31(27,28)14-7-5-12(6-8-14)17-23-18(26)30-24-17/h1-8,11H,9-10H2,(H,23,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UTCUDJBSIMPCLK-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