General Information of the Compound
| Compound ID |
CP0422029
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-(methylsulfonyl)phenyl)-1'-(pyridin-2-yl)-4,4'-bipiperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H29N3O2S
|
||||||||||||||||||
| Molecular Weight |
399.56
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)N1CCC(CC1)C1CCN(CC1)c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H29N3O2S/c1-28(26,27)21-7-5-20(6-8-21)24-14-9-18(10-15-24)19-11-16-25(17-12-19)22-4-2-3-13-23-22/h2-8,13,18-19H,9-12,14-17H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DHWMMRYZGBZJHY-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: PT02455, Glucose-dependent insulinotropic receptor
Protein ID: PT02398, Glucose-dependent insulinotropic receptor