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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2347912
CHEMBL2347912
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H12O4

Additional synonyms for CHEMBL2347912 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cc2OCC=Cc2c3OC(=CC(=O)c13)c4ccccc4
Standard InChI InChI=1S/C18H12O4/c19-13-9-15(11-5-2-1-3-6-11)22-18-12-7-4-8 ...
Download InChI
Standard InChI Key PHJHYXAJAMTIKE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2347912

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
292.3 292.0736 3.57 1 59.67 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.45 - 4.45 3.46 3 22 0.74

Structural Alerts

There are 3 structural alerts for CHEMBL2347912. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PHJHYXAJAMTIKE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2347912



BindingDB 50432672
Nikkaji J3.454.743B
PubChem 71662427
ZINC ZINC000095601030

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