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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL59732
CHEMBL59732
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H46N2O7

Additional synonyms for CHEMBL59732 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(CN1CCCCCCCCC\C=C\CCOC1=O)C(Cc2ccccc2)NC(=O)O[C@H]3CO[C@H] ...
Download SMILES
Standard InChI InChI=1S/C31H46N2O7/c34-27(22-33-18-13-8-6-4-2-1-3-5-7-9-14- ...
Download InChI
Standard InChI Key ALRIPXLHDVNKNQ-GFZKKPQCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL59732

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
558.7 558.3305 5.58 8 106.56 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 2 9 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.49 - 6.36 6.36 1 40 0.4

Structural Alerts

There are 4 structural alerts for CHEMBL59732. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ALRIPXLHDVNKNQ-GFZKKPQCSA-N
Wikipedia Meglumine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL59732



PubChem 44302511

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