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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2347756
CHEMBL2347756
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H12O3

Additional synonyms for CHEMBL2347756 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1C=C(Oc2c3C=CCOc3ccc12)c4ccccc4
Standard InChI InChI=1S/C18H12O3/c19-15-11-17(12-5-2-1-3-6-12)21-18-13(15)8 ...
Download InChI
Standard InChI Key JLXMVSQXHQXVQK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2347756

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
276.3 276.0786 3.87 1 39.44 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.2 4.2 3 21 0.68

Structural Alerts

There are 2 structural alerts for CHEMBL2347756. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JLXMVSQXHQXVQK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2347756



BindingDB 50432677
Nikkaji J3.454.741F
PubChem 71662265
ZINC ZINC000095602894

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