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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL538358
CHEMBL538358
Compound Name DECIDIUM
ChEMBL Synonyms Decidium
Max Phase 0
Trade Names
Molecular Formula C32H44Cl2N4

Additional synonyms for CHEMBL538358 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].[Cl-].C[N+](C)(C)CCCCCCCCCC[n+]1c(cc(N)c2ccc3ccc(N)cc3 ...
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Standard InChI InChI=1S/C32H43N4.2ClH/c1-36(2,3)22-14-9-7-5-4-6-8-13-21-35- ...
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Standard InChI Key AEMSMRRKFDURDS-UHFFFAOYSA-M

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL538358

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
484.7 484.3555 6.94 12 55.92 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 1 4 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.33 -1.08 -1.08 4 36 0.08

Structural Alerts

There are 19 structural alerts for CHEMBL538358. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AEMSMRRKFDURDS-UHFFFAOYSA-M

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL538358



PubChem 45266444

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