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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL14576
CHEMBL14576
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H18O2

Additional synonyms for CHEMBL14576 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(CCCC1CC1)c2ccc3OCCc3c2
Standard InChI InChI=1S/C15H18O2/c16-14(3-1-2-11-4-5-11)12-6-7-15-13(10-12) ...
Download InChI
Standard InChI Key WSIZFTULXCTIHZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL14576

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
230.3 230.1307 3.38 5 26.3 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.96 2.96 1 17 0.72

Structural Alerts

There are 1 structural alerts for CHEMBL14576. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WSIZFTULXCTIHZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL14576



PubChem 10489646
PubChem: Thomson Pharma 15514091
ZINC ZINC000038953424

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