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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2323474
CHEMBL2323474
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H16F3NO4

Additional synonyms for CHEMBL2323474 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3ccc(cc3)C(F)(F)F
Standard InChI InChI=1S/C20H16F3NO4/c1-11-15(10-18(25)26)16-9-14(28-2)7-8-1 ...
Download InChI
Standard InChI Key WSJYANUXYPFGPR-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2323474

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
391.4 391.1031 4.29 4 68.53 ACID


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
3.95 - 4.3 1.03 3 28 0.72

Structural Alerts

There are no structural alerts for CHEMBL2323474

Compound Cross References

ChemSpider ChemSpider:WSJYANUXYPFGPR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2323474



BindingDB 50427627
Brenda 216132
PubChem 19849814
SureChEMBL SCHEMBL3005254
ZINC ZINC000000607398

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