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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2205550
CHEMBL2205550
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H36ClN3O2S

Additional synonyms for CHEMBL2205550 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCc1sc(nc1c2ccc(Oc3ccc(Cl)cc3)cc2)c4ccc(OCCN5CCN(C)CC5)cc4
Standard InChI InChI=1S/C32H36ClN3O2S/c1-3-4-5-30-31(24-6-14-28(15-7-24)38- ...
Download InChI
Standard InChI Key DCZWLAKNYOFZPT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2205550

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
562.2 561.2217 7.89 11 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
- 7.57 8.74 8.31 4 39 0.19

Structural Alerts

There are no structural alerts for CHEMBL2205550

Compound Cross References

ChemSpider ChemSpider:DCZWLAKNYOFZPT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2205550



BindingDB 50402563
PubChem 71455869
PubChem: Thomson Pharma 163524346
ZINC ZINC000095559986

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