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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL560692
CHEMBL560692
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H5Cl2NOS2

Additional synonyms for CHEMBL560692 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(\C=C\2/SC(=O)NC2=S)c(Cl)c1
Standard InChI InChI=1S/C10H5Cl2NOS2/c11-6-2-1-5(7(12)4-6)3-8-9(15)13-10(14 ...
Download InChI
Standard InChI Key AVSXVMLHTRNJAY-BAQGIRSFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL560692

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
290.2 288.919 4.12 1 29.1 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.05 - 3.36 1.38 1 16 0.62

Structural Alerts

There are 6 structural alerts for CHEMBL560692. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AVSXVMLHTRNJAY-BAQGIRSFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL560692



Nikkaji J883.992A
PubChem 42630845
PubChem: Thomson Pharma 81069802
ZINC ZINC000043067707

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