General Information of the Compound
| Compound ID |
CP0039697
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-[(5E)-2-oxidanylidene-5-(phenylmethylidene)-4-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18N2O4S2
|
||||||||||||||||||
| Molecular Weight |
426.519
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C\c3ccccc3)C2=S)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18N2O4S2/c24-18(22-16-10-8-15(9-11-16)20(25)26)7-4-12-23-19(28)17(29-21(23)27)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,22,24)(H,25,26)/b17-13+
Show/Hide
|
||||||||||||||||||
| InChIKey |
JQYDWIFEFYUJLG-GHRIWEEISA-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