ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2347914
CHEMBL2347914
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H12O4

Additional synonyms for CHEMBL2347914 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cccc2OC(=CC(=O)c12)c3cccc(OCC#C)c3
Standard InChI InChI=1S/C18H12O4/c1-2-9-21-13-6-3-5-12(10-13)17-11-15(20)18 ...
Download InChI
Standard InChI Key OCMGAXUTMOJVBQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2347914

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 3.18 3 59.67 NEUTRAL


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
6.75 - 3.93 3.19 3 22 0.75

Structural Alerts

There are 4 structural alerts for CHEMBL2347914. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OCMGAXUTMOJVBQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2347914



Guide to Pharmacology 8748
PubChem 71662429
ZINC ZINC000095602960

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