General Information of the Compound
| Compound ID |
CP0394656
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-tert-butylphenyl)-4-cyano-5-(isopropylthio)thiophene-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21NO2S2
|
||||||||||||||||||
| Molecular Weight |
359.516
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Sc1sc(C(O)=O)c(c1C#N)-c1ccc(cc1)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21NO2S2/c1-11(2)23-18-14(10-20)15(16(24-18)17(21)22)12-6-8-13(9-7-12)19(3,4)5/h6-9,11H,1-5H3,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NLGSWJFLPVIVOK-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