3,3',4',5-TETRACHLOROSALICYLANILIDE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: HNE676755I

Structure
InChI Key SJQBHPJLLIJASD-UHFFFAOYSA-N
Smile O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1O
InChI
InChI=1S/C13H7Cl4NO2/c14-6-3-8(12(19)11(17)4-6)13(20)18-7-1-2-9(15)10(16)5-7/h1-5,19H,(H,18,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H7Cl4NO2
Molecular Weight 351.02
AlogP 5.26
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 49.33
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase
- 37000-45000 - - -
Enzyme Transferase
- 37000-45000 - - -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 188648
ChEMBL CHEMBL291338
EPA CompTox DTXSID4040767
FDA SRS HNE676755I
PubChem 14385
SureChEMBL SCHEMBL168748
ZINC ZINC000001081469
CONTENTS