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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL294383
CHEMBL294383
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H17Cl2N3O6S2

Additional synonyms for CHEMBL294383 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C1=C(COC(=O)c2cccnc2)CSC3[C@H](NC(=O)CSc4cc(Cl)ccc4Cl) ...
Download SMILES
Standard InChI InChI=1S/C22H17Cl2N3O6S2/c23-13-3-4-14(24)15(6-13)34-10-16(2 ...
Download InChI
Standard InChI Key SILZYEKEEWLBCO-DIAVIDTQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL294383

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
554.4 552.9936 3.08 8 125.9 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 1 9 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.47 3.11 2.07 -1.65 2 35 0.29

Structural Alerts

There are 4 structural alerts for CHEMBL294383. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SILZYEKEEWLBCO-DIAVIDTQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL294383



PubChem 44300915

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