General Information of the Compound
| Compound ID |
CP0384226
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-tert-butyl-N-methyl-4-[3-(6-methylpyridin-2-yl)prop-2-ynylidene]piperidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H27N3O
|
||||||||||||||||||
| Molecular Weight |
325.456
|
||||||||||||||||||
| Canonical SMILES |
CN(C(=O)N1CCC(CC1)=CC#Cc1cccc(C)n1)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H27N3O/c1-16-8-6-10-18(21-16)11-7-9-17-12-14-23(15-13-17)19(24)22(5)20(2,3)4/h6,8-10H,12-15H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MBRQXVVRMDOUAR-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: PT02444, Metabotropic glutamate receptor 1
Protein ID: PT00854, Metabotropic glutamate receptor 5