General Information of the Compound
| Compound ID |
CP0519832
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[bis(4-chlorophenyl)methylsulfinylmethyl]-1,3-thiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H13Cl2NOS2
|
||||||||||||||||||
| Molecular Weight |
382.337
|
||||||||||||||||||
| Canonical SMILES |
[O-][S+](Cc1nccs1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H13Cl2NOS2/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)23(21)11-16-20-9-10-22-16/h1-10,17H,11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
AMPASYLFRDOKST-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