General Information of the Compound
| Compound ID |
CP0380660
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-[3-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-5-fluorophenoxy]phenyl]acetonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H15FN2O3S
|
||||||||||||||||||
| Molecular Weight |
394.427
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(Oc2cccc(CC#N)c2)cc(c1)N1Cc2ccccc2S1(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H15FN2O3S/c22-17-11-18(24-14-16-5-1-2-7-21(16)28(24,25)26)13-20(12-17)27-19-6-3-4-15(10-19)8-9-23/h1-7,10-13H,8,14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
JCCNRRMDQMMRRF-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