General Information of the Compound
| Compound ID |
CP0459875
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]-5-propoxy-[1,2,4]triazolo[4,3-a]pyrazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20N6O
|
||||||||||||||||||
| Molecular Weight |
348.41
|
||||||||||||||||||
| Canonical SMILES |
CCCOc1cncc2nnc(-c3cnn(C)c3-c3ccc(C)cc3)n12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20N6O/c1-4-9-26-17-12-20-11-16-22-23-19(25(16)17)15-10-21-24(3)18(15)14-7-5-13(2)6-8-14/h5-8,10-12H,4,9H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
TZXMIHDCNIPHKE-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