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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2205549
CHEMBL2205549
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H35ClN2O2S

Additional synonyms for CHEMBL2205549 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCc1sc(nc1c2ccc(Oc3ccc(Cl)cc3)cc2)c4ccc(OCCN5CCCCC5)cc4
Standard InChI InChI=1S/C32H35ClN2O2S/c1-2-3-7-30-31(24-8-16-28(17-9-24)37- ...
Download InChI
Standard InChI Key WUCLJDCOPCRNES-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2205549

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
547.2 546.2108 9.13 11 34.59 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 2 4 0 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.54 10.15 8.99 4 38 0.19

Structural Alerts

There are no structural alerts for CHEMBL2205549

Compound Cross References

ChemSpider ChemSpider:WUCLJDCOPCRNES-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2205549



BindingDB 50402564
PubChem 71457675
PubChem: Thomson Pharma 163524345
ZINC ZINC000095557874

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