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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL7289
CHEMBL7289
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14F3NO2

Additional synonyms for CHEMBL7289 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)CCc2cc3C(=CC(=O)Oc3cc2N1)C(F)(F)F
Standard InChI InChI=1S/C15H14F3NO2/c1-14(2)4-3-8-5-9-10(15(16,17)18)6-13(2 ...
Download InChI
Standard InChI Key XCAOBUOTWGIJFB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL7289

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
297.3 297.0977 3.95 0 42.24 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.52 3.15 3.15 2 21 0.75

Structural Alerts

There are 5 structural alerts for CHEMBL7289. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XCAOBUOTWGIJFB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL7289



BindingDB 50076691
IBM Patent System 62337ACB7B7240998FCD78EA04C2DB95
PubChem 22218142
SureChEMBL SCHEMBL2859774
ZINC ZINC000100753459

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