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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL557685
CHEMBL557685
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H7Cl2NOS

Additional synonyms for CHEMBL557685 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(NC(=O)c2ccsc2)cc1Cl
Standard InChI InChI=1S/C11H7Cl2NOS/c12-9-2-1-8(5-10(9)13)14-11(15)7-3-4-16 ...
Download InChI
Standard InChI Key GKCPOBNJSNOQEH-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL557685

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
272.2 270.9625 4.31 2 29.1 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.22 - 3.79 3.79 2 16 0.87

Structural Alerts

There are no structural alerts for CHEMBL557685

Compound Cross References

ChemSpider ChemSpider:GKCPOBNJSNOQEH-UHFFFAOYSA-N
PubChem SID: 85240639

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL557685



BindingDB 50293729
Mcule MCULE-5837237897
MolPort MolPort-009-204-496
PubChem 30268259
PubChem: Thomson Pharma 85186801
ZINC ZINC000022390756

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/GKCPOBNJSNOQEH-UHFFFAOYSA-N spacer
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