General Information of the Compound
| Compound ID |
CP0375350
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl 4-[1-(2-methylphenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24N4O2
|
||||||||||||||||||
| Molecular Weight |
340.427
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1-n1cc(nn1)C1=CCN(CC1)C(=O)OC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H24N4O2/c1-14-7-5-6-8-17(14)23-13-16(20-21-23)15-9-11-22(12-10-15)18(24)25-19(2,3)4/h5-9,13H,10-12H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JMIBSVABGHKOBI-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
Protein ID: PT01994, Metabotropic glutamate receptor 1
Protein ID: PT05866, Metabotropic glutamate receptor 1
Protein ID: PT00854, Metabotropic glutamate receptor 5