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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL377720
CHEMBL377720
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H11ClN2O3S3

Additional synonyms for CHEMBL377720 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(\C=C\2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1
Standard InChI InChI=1S/C16H11ClN2O3S3/c17-12-8-6-11(7-9-12)10-14-15(20)19( ...
Download InChI
Standard InChI Key YSSXKLSQJQVUIG-UVTDQMKNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL377720

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
410.9 409.962 4.25 4 132.25 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.55 - 3.47 1.53 2 25 0.59

Structural Alerts

There are 10 structural alerts for CHEMBL377720. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YSSXKLSQJQVUIG-UVTDQMKNSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL377720



Brenda 62661
Nikkaji J2.299.949D
PubChem 1552027
PubChem: Thomson Pharma 16655582
SureChEMBL SCHEMBL6786118
ZINC ZINC000013680672

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