General Information of the Compound
| Compound ID |
CP0045837
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloro-N-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H15ClN2O4S2
|
||||||||||||||||||
| Molecular Weight |
434.926
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc(\C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H15ClN2O4S2/c1-2-26-15-9-11(7-8-14(15)23)10-16-18(25)22(19(27)28-16)21-17(24)12-5-3-4-6-13(12)20/h3-10,23H,2H2,1H3,(H,21,24)/b16-10-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ACSHDWDJCNTEJX-YBEGLDIGSA-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