General Information of the Compound
| Compound ID |
CP0385314
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26N4O3S
|
||||||||||||||||||
| Molecular Weight |
414.531
|
||||||||||||||||||
| Canonical SMILES |
CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N4O3S/c1-17-9-13-25(14-10-17)21(26)20(11-15-24-12-5-6-18(24)16-22)23-29(27,28)19-7-3-2-4-8-19/h2-8,12,17,20,23H,9-11,13-15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UWIFNZPQBKJFLK-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: PT05484, C-C chemokine receptor type 10
Protein ID: PT06377, C-C chemokine receptor type 10