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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1522764
CHEMBL1522764
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H13FN2O2

Additional synonyms for CHEMBL1522764 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1cccc(Cn2ccc(n2)c3ccc4OCOc4c3)c1
Standard InChI InChI=1S/C17H13FN2O2/c18-14-3-1-2-12(8-14)10-20-7-6-15(19-20 ...
Download InChI
Standard InChI Key QMQFMDFYNGFSMN-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1522764

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
296.3 296.0961 3.47 3 36.28 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.36 4.15 4.15 3 22 0.74

Structural Alerts

There are no structural alerts for CHEMBL1522764

Compound Cross References

ChemSpider ChemSpider:QMQFMDFYNGFSMN-UHFFFAOYSA-N
PubChem SID: 17411075

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1522764



eMolecules 27492278
Mcule MCULE-1630848982
MolPort MolPort-002-875-783
PubChem 1481699
ZINC ZINC000001394868

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