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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1801890
CHEMBL1801890
Compound Name BLAZEIN
ChEMBL Synonyms Blazein
Max Phase 0
Trade Names
Molecular Formula C29H48O3

Additional synonyms for CHEMBL1801890 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@@H]1C=C2[C@H](CC[C@]3(C)[C@H](CCC23)C(C)\C=C\C(C)C(C)C) ...
Download SMILES
Standard InChI InChI=1S/C29H48O3/c1-18(2)19(3)8-9-20(4)23-10-11-24-22-16-26 ...
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Standard InChI Key GQVCGTRDXSDAHC-OLZLCCFISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1801890

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
444.7 444.3603 6.15 5 49.69 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 1 3 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.81 - 7.45 7.45 0 32 0.5

Structural Alerts

There are 2 structural alerts for CHEMBL1801890. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GQVCGTRDXSDAHC-OLZLCCFISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1801890



PubChem 46935979
PubChem: Thomson Pharma 99443023

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