General Information of the Compound
| Compound ID |
CP0088555
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-[difluoro-(3-methoxyquinolin-6-yl)methyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H12F3N5OS
|
||||||||||||||||||
| Molecular Weight |
427.411
|
||||||||||||||||||
| Canonical SMILES |
COc1cnc2ccc(cc2c1)C(F)(F)c1nnc2c(F)cc(cn12)-c1cscn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H12F3N5OS/c1-29-14-5-11-4-13(2-3-16(11)24-7-14)20(22,23)19-27-26-18-15(21)6-12(8-28(18)19)17-9-30-10-25-17/h2-10H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PKBNSFDYLATYAR-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