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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2424815
CHEMBL2424815
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H35NO4

Additional synonyms for CHEMBL2424815 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ON(CCC(=O)O)C(=O)CCCCCCCCC1CCCCCC1
Standard InChI InChI=1S/C19H35NO4/c21-18(20(24)16-15-19(22)23)14-10-4-2-1-3 ...
Download InChI
Standard InChI Key VVZLHQFURHPPLX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2424815

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
341.5 341.2566 5.14 12 77.84 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 1 5 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.35 - 5.92 2.91 0 24 0.22

Structural Alerts

There are 12 structural alerts for CHEMBL2424815. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VVZLHQFURHPPLX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2424815



BindingDB 50440286
Nikkaji J3.218.001I
PubChem 71735842
ZINC ZINC000096284018

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