General Information of the Compound
| Compound ID |
CP0416390
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-(5-chloro-2-methoxypyridin-4-yl)azetidin-3-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H17ClN6O2
|
||||||||||||||||||
| Molecular Weight |
372.816
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(N2CC(C2)NC(=O)c2ccc3nnc(C)n3c2)c(Cl)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H17ClN6O2/c1-10-21-22-15-4-3-11(7-24(10)15)17(25)20-12-8-23(9-12)14-5-16(26-2)19-6-13(14)18/h3-7,12H,8-9H2,1-2H3,(H,20,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XVCBOAPFDQCKCM-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