General Information of the Compound
| Compound ID |
CP0575449
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[[1-[4-(3-methylphenyl)phenyl]sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24N4O2S
|
||||||||||||||||||
| Molecular Weight |
432.549
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(c1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24N4O2S/c1-18-3-2-4-21(15-18)20-6-8-23(9-7-20)31(29,30)28-13-11-22(12-14-28)27-24-10-5-19(16-25)17-26-24/h2-10,15,17,22H,11-14H2,1H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HVWVUKQRUZDGEA-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