General Information of the Compound
| Compound ID |
CP0561453
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8614253, 43-33
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H7F3O2S
|
||||||||||||||||||
| Molecular Weight |
272.247
|
||||||||||||||||||
| Canonical SMILES |
Oc1c(C=O)cc(cc1C(F)(F)F)-c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H7F3O2S/c13-12(14,15)9-5-7(10-2-1-3-18-10)4-8(6-16)11(9)17/h1-6,17H
Show/Hide
|
||||||||||||||||||
| InChIKey |
MDXNFIYIILMKFN-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