General Information of the Compound
| Compound ID |
CP0555459
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-[4-[3-(2-oxo-1,3-benzothiazol-3-yl)propyl]piperazin-1-yl]propyl]-1,3-benzothiazol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28N4O2S2
|
||||||||||||||||||
| Molecular Weight |
468.648
|
||||||||||||||||||
| Canonical SMILES |
O=c1sc2ccccc2n1CCCN1CCN(CCCn2c3ccccc3sc2=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28N4O2S2/c29-23-27(19-7-1-3-9-21(19)31-23)13-5-11-25-15-17-26(18-16-25)12-6-14-28-20-8-2-4-10-22(20)32-24(28)30/h1-4,7-10H,5-6,11-18H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
DSGSLLLAYFZADC-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