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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2205565
CHEMBL2205565
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C33H39Cl2N3O3S

Additional synonyms for CHEMBL2205565 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CCCCc1sc(NC(=O)c2ccc(OCCCN(CC)CC)cc2)nc1c3ccc(Oc4ccc(Cl)c ...
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Standard InChI InChI=1S/C33H38ClN3O3S.ClH/c1-4-7-9-30-31(24-10-18-28(19-11- ...
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Standard InChI Key OELNOWDIACEOSL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2205565

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
592.2 591.2322 8.96 15 63.69 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 2 6 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.31 10.17 10.5 7.97 4 41 0.14

Structural Alerts

There are 3 structural alerts for CHEMBL2205565. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OELNOWDIACEOSL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2205565



PubChem 71452358

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