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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL257151
CHEMBL257151
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H15NO3

Additional synonyms for CHEMBL257151 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=CC(=O)Nc2ccc3c(COc4cccc(CO)c34)c12
Standard InChI InChI=1S/C18H15NO3/c1-10-7-16(21)19-14-6-5-12-13(17(10)14)9- ...
Download InChI
Standard InChI Key HNYRSZRBOVPOHQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL257151

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
293.3 293.1052 2.89 1 62.32 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.04 .34 2.92 2.92 3 22 0.72

Structural Alerts

There are no structural alerts for CHEMBL257151

Compound Cross References

ChemSpider ChemSpider:HNYRSZRBOVPOHQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL257151



BindingDB 50373232
IBM Patent System F1F580A2477287CE90379D1D446B3B21
PubChem 25017244
PubChem: Thomson Pharma 56360871
SureChEMBL SCHEMBL4176594
ZINC ZINC000029043411

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