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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2425441
CHEMBL2425441
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H14O3

Additional synonyms for CHEMBL2425441 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(cc1)c2ccc(cc2)c3ccc(O)c(O)c3
Standard InChI InChI=1S/C18H14O3/c19-16-8-5-13(6-9-16)12-1-3-14(4-2-12)15-7 ...
Download InChI
Standard InChI Key UKRSZCUTIHYTHP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2425441

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
278.3 278.0943 4.14 2 60.69 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.59 - 3.55 3.55 3 21 0.62

Structural Alerts

There are 2 structural alerts for CHEMBL2425441. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UKRSZCUTIHYTHP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2425441



IBM Patent System 3BF4F876E0B81C0D84A5005E2776B636
Nikkaji J3.247.229J
PubChem 22508143
PubChem: Thomson Pharma 126494387
SureChEMBL SCHEMBL3814886
ZINC ZINC000096930194

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