General Information of the Compound
| Compound ID |
CP0535707
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(6-piperidin-1-ylhexyl)-1,2-benzothiazol-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H26N2OS
|
||||||||||||||||||
| Molecular Weight |
318.486
|
||||||||||||||||||
| Canonical SMILES |
O=c1n(CCCCCCN2CCCCC2)sc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H26N2OS/c21-18-16-10-4-5-11-17(16)22-20(18)15-9-2-1-6-12-19-13-7-3-8-14-19/h4-5,10-11H,1-3,6-9,12-15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZJIULELKNQHSFL-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