General Information of the Compound
| Compound ID |
CP0537394
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-yl]-1,3-benzothiazole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C18H16N6OS
|
||||||||||||||||||
| Molecular Weight |
364.434
|
||||||||||||||||||
| Canonical SMILES |
CC(C)n1cnnc1-c1cccc(NC(=O)c2nc3ccccc3s2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16N6OS/c1-11(2)24-10-19-23-16(24)13-7-5-9-15(20-13)22-17(25)18-21-12-6-3-4-8-14(12)26-18/h3-11H,1-2H3,(H,20,22,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DXJWGPDPKOTEAI-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