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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2322133
CHEMBL2322133
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C43H48N6O6

Additional synonyms for CHEMBL2322133 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)c1ccc2C(=C3C=CC(=[N+](C)C)C=C3Oc2c1)c4ccc(cc4C(=O)[O-]) ...
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Standard InChI InChI=1S/C43H48N6O6/c1-47(2)29-9-13-33-38(23-29)55-39-24-30( ...
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Standard InChI Key FBGLUXQASNAMOM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2322133

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
744.9 744.3635 3.93 15 168.9 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 4 1 12 5 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.49 9.5 1.69 1.33 4 55 0.07

Structural Alerts

There are 7 structural alerts for CHEMBL2322133. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FBGLUXQASNAMOM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2322133



BindingDB 50426730
PubChem 71720442

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