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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL551140
CHEMBL551140
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H15FN2O4

Additional synonyms for CHEMBL551140 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc2\C(=N\O)\C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Standard InChI InChI=1S/C18H15FN2O4/c1-10-2-3-14-15(4-10)21(18(22)16(14)20- ...
Download InChI
Standard InChI Key TWTIIHVYOGLKME-SILNSSARSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL551140

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
342.3 342.1016 2.73 2 71.36 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.76 - 3.41 3.41 2 25 0.67

Structural Alerts

There are 8 structural alerts for CHEMBL551140. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TWTIIHVYOGLKME-SILNSSARSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL551140



PubChem 44188627
PubChem: Thomson Pharma 85184278
SureChEMBL SCHEMBL13628063
ZINC ZINC000043021644

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