General Information of the Compound
| Compound ID |
CP0525380
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H12N2O3S2
|
||||||||||||||||||
| Molecular Weight |
344.417
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H12N2O3S2/c1-21-15(20)10-4-2-9(3-5-10)13-7-6-11(23-13)8-12-14(19)18-16(22)17-12/h2-8H,1H3,(H2,17,18,19,22)/b12-8+
Show/Hide
|
||||||||||||||||||
| InChIKey |
FZGIQQOPLUIPRC-XYOKQWHBSA-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