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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL519564
CHEMBL519564
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H33N3O3

Additional synonyms for CHEMBL519564 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC(=O)Nc1ccc2c(c1)nc(CCCC)n2Cc3ccc(cc3)c4ccccc4C(=O)O
Standard InChI InChI=1S/C30H33N3O3/c1-3-5-11-28-32-26-19-23(31-29(34)12-6-4 ...
Download InChI
Standard InChI Key UKUBUHNENSJHLR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL519564

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
483.6 483.2522 6.92 11 84.22 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 1 6 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.84 5.52 6.88 3.89 4 36 0.24

Structural Alerts

There are no structural alerts for CHEMBL519564

Compound Cross References

ChemSpider ChemSpider:UKUBUHNENSJHLR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL519564



BindingDB 50412357
PubChem 25112614
PubChem: Thomson Pharma 56434808
ZINC ZINC000040422060

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