General Information of the Compound
| Compound ID |
CP0578886
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1,3-benzothiazol-5-yl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16ClN3O3S3
|
||||||||||||||||||
| Molecular Weight |
441.987
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(s1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2scnc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16ClN3O3S3/c18-15-3-4-16(26-15)27(23,24)21-7-5-11(6-8-21)17(22)20-12-1-2-14-13(9-12)19-10-25-14/h1-4,9-11H,5-8H2,(H,20,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JXYFPSMGLHFUDN-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 | |||||||||||||||||||
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