General Information of the Compound
| Compound ID |
CP0507262
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434711, 290
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H14BrF4NO3S2
|
||||||||||||||||||
| Molecular Weight |
560.388
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(cc1)S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1Br
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H14BrF4NO3S2/c23-20-16-3-1-2-4-19(16)32-21(20)28(33(30,31)15-8-6-14(29)7-9-15)12-13-5-10-18(24)17(11-13)22(25,26)27/h1-11,29H,12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
UVBJVGYGYSGGEB-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