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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL564481
CHEMBL564481
Compound Name CYCLODOXAZOSIN
ChEMBL Synonyms cyclodoxazosin
Max Phase 0
Trade Names
Molecular Formula C27H31N5O5

Additional synonyms for CHEMBL564481 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2nc(nc(N)c2cc1OC)N3CCN([C@H]4CCCC[C@@H]34)C(=O)C5COc6c ...
Download SMILES
Standard InChI InChI=1S/C27H31N5O5/c1-34-22-13-16-17(14-23(22)35-2)29-27(30 ...
Download InChI
Standard InChI Key RZKGYUBITDXCBT-ZJWBFHOUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL564481

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
505.6 505.2325 3.03 4 112.27 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 1 1 10 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.24 4.5 2.25 3 37 0.57

Structural Alerts

There are 1 structural alerts for CHEMBL564481. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RZKGYUBITDXCBT-ZJWBFHOUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL564481



BindingDB 50414396
PubChem 45268939

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