ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL492979
CHEMBL492979
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H10F4N2O3

Additional synonyms for CHEMBL492979 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc2C(C(=O)Nc3occ(n3)C(F)(F)F)c4ccccc4Oc2c1
Standard InChI InChI=1S/C18H10F4N2O3/c19-9-5-6-11-13(7-9)27-12-4-2-1-3-10(1 ...
Download InChI
Standard InChI Key GJCXNHCXDLHETA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL492979

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
378.3 378.0628 4.71 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
11.27 - 2.79 2.79 3 27 0.66

Structural Alerts

There are 2 structural alerts for CHEMBL492979. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GJCXNHCXDLHETA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL492979



BindingDB 50258184
IBM Patent System 7CCB8352FF062ABBEB8A79F296A83122
PubChem 10045177
PubChem: Thomson Pharma 15028521

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