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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2205569
CHEMBL2205569
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C33H38ClN3O2S

Additional synonyms for CHEMBL2205569 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCc1sc(nc1c2ccc(Oc3ccc(Cl)cc3)cc2)c4ccc(OCCCN5CCN(C)CC5)cc ...
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Standard InChI InChI=1S/C33H38ClN3O2S/c1-3-4-6-31-32(25-7-15-29(16-8-25)39- ...
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Standard InChI Key ZZCMDTGVSVSYGD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2205569

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
576.2 575.2373 8.28 12 37.83 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 2 5 0 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.64 8.57 8 4 40 0.16

Structural Alerts

There are 1 structural alerts for CHEMBL2205569. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZZCMDTGVSVSYGD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2205569



BindingDB 50402566
PubChem 71452360
PubChem: Thomson Pharma 163524126
ZINC ZINC000095559991

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