General Information of the Compound
| Compound ID |
CP0505862
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-methylphenyl)-3-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19N7S
|
||||||||||||||||||
| Molecular Weight |
425.521
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(NC(=S)n2cc(c(n2)-c2cccc(C)n2)-c2ccc3ncnn3c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19N7S/c1-15-5-3-7-18(11-15)27-23(31)30-13-19(17-9-10-21-24-14-25-29(21)12-17)22(28-30)20-8-4-6-16(2)26-20/h3-14H,1-2H3,(H,27,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KQNFZFJGPHXITJ-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