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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15998
CHEMBL15998
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H43N3O3

Additional synonyms for CHEMBL15998 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCCCCCN
Standard InChI InChI=1S/C25H43N3O3/c1-2-13-24(30)28-23(20-21-14-16-22(29)17 ...
Download InChI
Standard InChI Key FQWLGYQDBDGALN-QHCPKHFHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15998

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
433.6 433.3304 4.2 18 104.45 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 6 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.84 10.67 4.86 1.99 1 31 0.26

Structural Alerts

There are 9 structural alerts for CHEMBL15998. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FQWLGYQDBDGALN-QHCPKHFHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15998



ACToR 133358-74-4
BindingDB 50094299
EPA CompTox Dashboard DTXSID70158087
Nikkaji J1.251.695I
PubChem 131617

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