General Information of the Compound
| Compound ID |
CP0212930
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Acetic acid 5-butyl-2-phenyl-thiazol-4-yl ester
Show/Hide
|
||||||||||||||||||
| Synonyms |
Acetic acid 5-butyl-2-phenyl-4-thiazolyl ester
Acetic acid 5-butyl-2-phenyl-thiazol-4-yl ester
BDBM50012410
CHEMBL303221
SCHEMBL9630562
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H17NO2S
|
||||||||||||||||||
| Molecular Weight |
275.373
|
||||||||||||||||||
| Canonical SMILES |
CCCCc1sc(nc1OC(C)=O)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H17NO2S/c1-3-4-10-13-14(18-11(2)17)16-15(19-13)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NEOJOUJFNJKBMX-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
Clinical Information about the Compound