General Information of the Compound
| Compound ID |
CP0399355
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-phenoxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H15NO3S
|
||||||||||||||||||
| Molecular Weight |
337.4
|
||||||||||||||||||
| Canonical SMILES |
O=S1(=O)N(Cc2ccccc12)c1cccc(Oc2ccccc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H15NO3S/c21-24(22)19-12-5-4-7-15(19)14-20(24)16-8-6-11-18(13-16)23-17-9-2-1-3-10-17/h1-13H,14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
VIQXQPOYEWUQGH-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
Protein ID: PT02793, Free fatty acid receptor 1
Protein ID: PT04427, Free fatty acid receptor 4