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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1967321
CHEMBL1967321
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H30O2

Additional synonyms for CHEMBL1967321 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCC\C=C\C#CCCCCCCCC(=O)O
Standard InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17 ...
Download InChI
Standard InChI Key VENIIVIRETXKSV-BQYQJAHWSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1967321

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
278.4 278.2246 5.33 12 37.3 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.77 - 6.25 3.66 0 20 0.39

Structural Alerts

There are 8 structural alerts for CHEMBL1967321. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VENIIVIRETXKSV-BQYQJAHWSA-N
PubChem SID: 137815

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1967321



Brenda 192374 95221
FDA SRS IA0Z48P13W
LipidMaps LMFA01030560
Nikkaji J6.486F
PubChem 5312688
PubChem: Thomson Pharma 14775233
SureChEMBL SCHEMBL40759
ZINC ZINC000001556943

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