General Information of the Compound
| Compound ID |
CP0445969
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-methylbenzyl 4-[2-(pyrimidin-2-ylamino)ethyl]piperidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H26N4O
|
||||||||||||||||||
| Molecular Weight |
338.455
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(CC(=O)N2CCC(CCNc3ncccn3)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H26N4O/c1-16-3-5-18(6-4-16)15-19(25)24-13-8-17(9-14-24)7-12-23-20-21-10-2-11-22-20/h2-6,10-11,17H,7-9,12-15H2,1H3,(H,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VSSRALNHWPBCRX-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: PT02751, Glutamate receptor ionotropic, NMDA 2B
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2