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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL182424
CHEMBL182424
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H13NO

Additional synonyms for CHEMBL182424 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc(n1)C#Cc2cccc(c2)c3occc3
Standard InChI InChI=1S/C18H13NO/c1-14-5-2-8-17(19-14)11-10-15-6-3-7-16(13- ...
Download InChI
Standard InChI Key KUHGYFHKEMPQFS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL182424

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
259.3 259.0997 4.05 1 26.03 NEUTRAL


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
- 2.59 5.77 5.77 3 20 0.62

Structural Alerts

There are 1 structural alerts for CHEMBL182424. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KUHGYFHKEMPQFS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL182424



BindingDB 50160640
PubChem 44392408
ZINC ZINC000028366437

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