General Information of the Compound
| Compound ID |
CP0572476
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434711, 550
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H15F3N2O2S2
|
||||||||||||||||||
| Molecular Weight |
424.469
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(sc2ccccc12)N(CCC(F)(F)F)S(=O)(=O)c1cccc(c1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H15F3N2O2S2/c1-13-16-7-2-3-8-17(16)27-18(13)24(10-9-19(20,21)22)28(25,26)15-6-4-5-14(11-15)12-23/h2-8,11H,9-10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XHWULVDWVHCLFT-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