General Information of the Compound
| Compound ID |
CP0424210
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-1,2-benzisothiazole-3(2H)-one 1,1-dioxide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25N3O3S
|
||||||||||||||||||
| Molecular Weight |
399.516
|
||||||||||||||||||
| Canonical SMILES |
O=C1N(CCCCN2CCN(CC2)c2ccccc2)S(=O)(=O)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25N3O3S/c25-21-19-10-4-5-11-20(19)28(26,27)24(21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
TWQROZICHMTHNN-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