General Information of the Compound
| Compound ID |
CP0551844
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3105087
Show/Hide
|
||||||||||||||||||
| Formula |
C15H13F2N3OS
|
||||||||||||||||||
| Molecular Weight |
321.352
|
||||||||||||||||||
| Canonical SMILES |
CCc1cnn2c(O)cc(CSc3cccc(F)c3F)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H13F2N3OS/c1-2-9-7-18-20-13(21)6-10(19-15(9)20)8-22-12-5-3-4-11(16)14(12)17/h3-7,21H,2,8H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WVFGAQIFUXHDRK-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 | |||||||||||||||||||
| 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