General Information of the Compound
| Compound ID |
CP0903346
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl)-N-(1-(p-tolyl)ethyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19N5O2
|
||||||||||||||||||
| Molecular Weight |
325.372
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc([C@H](C)NC(=O)Cn2nc3cnc(C)cn3c2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19N5O2/c1-11-4-6-14(7-5-11)13(3)19-16(23)10-22-17(24)21-9-12(2)18-8-15(21)20-22/h4-9,13H,10H2,1-3H3,(H,19,23)/t13-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DAEYHMKWNKIYFC-ZDUSSCGKSA-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
Protein ID: PT06277, Probable G-protein coupled receptor 139
Protein ID: PT06789, Probable G-protein coupled receptor 139