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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL214778
CHEMBL214778
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H27FN2O3

Additional synonyms for CHEMBL214778 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(OC)cc(c1)C(=O)NC2CCN(Cc3ccc4cc(F)ccc4c3)CC2
Standard InChI InChI=1S/C25H27FN2O3/c1-30-23-13-20(14-24(15-23)31-2)25(29)2 ...
Download InChI
Standard InChI Key WKGHJOSYASFMEI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL214778

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
422.5 422.2006 4.39 6 50.8 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
- 7.73 4.63 3.94 3 31 0.64

Structural Alerts

There are no structural alerts for CHEMBL214778

Compound Cross References

ChemSpider ChemSpider:WKGHJOSYASFMEI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL214778



BindingDB 50192182
PubChem 44417859
ZINC ZINC000036351711

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