General Information of the Compound
| Compound ID |
CP0498686
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(5-methylpyrimidin-2-yl)-1'-(4-(methylsulfonyl)phenyl)-4,4'-bipiperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H30N4O2S
|
||||||||||||||||||
| Molecular Weight |
414.575
|
||||||||||||||||||
| Canonical SMILES |
Cc1cnc(nc1)N1CCC(CC1)C1CCN(CC1)c1ccc(cc1)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H30N4O2S/c1-17-15-23-22(24-16-17)26-13-9-19(10-14-26)18-7-11-25(12-8-18)20-3-5-21(6-4-20)29(2,27)28/h3-6,15-16,18-19H,7-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MNTULTNMBIANEZ-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: PT02398, Glucose-dependent insulinotropic receptor
Protein ID: PT02455, Glucose-dependent insulinotropic receptor