General Information of the Compound
| Compound ID |
CP0535433
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18N2O6S2
|
||||||||||||||||||
| Molecular Weight |
470.528
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18N2O6S2/c25-19(23-15-6-4-14(5-7-15)21(27)28)2-1-9-24-20(26)18(32-22(24)31)11-13-3-8-16-17(10-13)30-12-29-16/h3-8,10-11H,1-2,9,12H2,(H,23,25)(H,27,28)/b18-11-
Show/Hide
|
||||||||||||||||||
| InChIKey |
WYDALEWSLMNXDW-WQRHYEAKSA-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