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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL487989
CHEMBL487989
Compound Name MINQUARTYNOIC ACID
ChEMBL Synonyms Minquartynoic Acid
Max Phase 0
Trade Names
Molecular Formula C18H20O3

Additional synonyms for CHEMBL487989 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](O)C#CC#CC#CC#CCCCCCCCC(=O)O
Standard InChI InChI=1S/C18H20O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14 ...
Download InChI
Standard InChI Key MTWGWIOCIREVRF-KRWDZBQOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL487989

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
284.4 284.1412 2.2 7 57.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.77 - 5.6 3.01 0 21 0.56

Structural Alerts

There are 9 structural alerts for CHEMBL487989. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MTWGWIOCIREVRF-KRWDZBQOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL487989



ACToR 123154-43-8
ChEBI 542606
EPA CompTox Dashboard DTXSID90153872
LipidMaps LMFA01050459
Nikkaji J589.829C
PubChem 183614
PubChem: Thomson Pharma 14948363

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