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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL494966
CHEMBL494966
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H11F3N2O3

Additional synonyms for CHEMBL494966 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)c1oc(NC(=O)C2c3ccccc3Oc4ccccc24)nc1
Standard InChI InChI=1S/C18H11F3N2O3/c19-18(20,21)14-9-22-17(26-14)23-16(24 ...
Download InChI
Standard InChI Key UYFCZMCSHUMDIF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL494966

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
360.3 360.0722 4.57 2 64.36 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.34 - 3.05 3.05 3 26 0.73

Structural Alerts

There are 1 structural alerts for CHEMBL494966. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UYFCZMCSHUMDIF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL494966



BindingDB 50258226
IBM Patent System 78FFC7E2EDF0BDD1334669D61FAAEAF4
PubChem 9975764
PubChem: Thomson Pharma 14953517
ZINC ZINC000040954248

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