General Information of the Compound
| Compound ID |
CP0540514
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H13NO2S
|
||||||||||||||||||
| Molecular Weight |
271.341
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc2sn(CCc3ccccc3)c(=O)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H13NO2S/c17-12-6-7-14-13(10-12)15(18)16(19-14)9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
XTSKMXPXHWKYDK-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