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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2424809
CHEMBL2424809
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H29NO4

Additional synonyms for CHEMBL2424809 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)CCCCCCCCC(=O)N(O)CCC(=O)O
Standard InChI InChI=1S/C15H29NO4/c1-13(2)9-7-5-3-4-6-8-10-14(17)16(20)12-1 ...
Download InChI
Standard InChI Key GKYNMRDLPZEFFB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2424809

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
287.4 287.2097 3.68 12 77.84 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.35 - 4.29 1.28 0 20 0.33

Structural Alerts

There are 13 structural alerts for CHEMBL2424809. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GKYNMRDLPZEFFB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2424809



BindingDB 50440292
Nikkaji J3.217.994K
PubChem 73352277
ZINC ZINC000096284024

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