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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3115799
CHEMBL3115799
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H35NO3

Additional synonyms for CHEMBL3115799 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCc1cc2ccccc2n1C(=O)CCCC(=O)O
Standard InChI InChI=1S/C24H35NO3/c1-2-3-4-5-6-7-8-9-10-15-21-19-20-14-11-1 ...
Download InChI
Standard InChI Key YQHVPYKXQBRTNN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3115799

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
385.6 385.2617 6.61 14 59.3 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 1 4 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.6 - 7.42 4.66 2 28 0.37

Structural Alerts

There are 9 structural alerts for CHEMBL3115799. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YQHVPYKXQBRTNN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3115799



BindingDB 50446970
IBM Patent System 18938B5B58EF5AE545109706722E931E
PubChem 49800558
PubChem: Thomson Pharma 103772336
SureChEMBL SCHEMBL287576
ZINC ZINC000103270893

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