General Information of the Compound
| Compound ID |
CP0521326
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-fluorophenyl)-2-[3-(6-methylpyridin-2-yl)-4-quinolin-4-ylpyrazol-1-yl]ethanethioamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H20FN5S
|
||||||||||||||||||
| Molecular Weight |
453.546
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(n1)-c1nn(CC(=S)Nc2cccc(F)c2)cc1-c1ccnc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H20FN5S/c1-17-6-4-11-24(29-17)26-22(20-12-13-28-23-10-3-2-9-21(20)23)15-32(31-26)16-25(33)30-19-8-5-7-18(27)14-19/h2-15H,16H2,1H3,(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GGVVKPVKOVIANA-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