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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2418745
CHEMBL2418745
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H26FNO2

Additional synonyms for CHEMBL2418745 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(C)c2C[C@@H]3[C@@H]4C[C@@H](C)[C@@H](F)[C@@H]5Oc1c2[C@ ...
Download SMILES
Standard InChI InChI=1S/C20H26FNO2/c1-10-8-15(23-4)18-16-12(10)9-14-13-7-11 ...
Download InChI
Standard InChI Key WPANEQFBKQNEAE-AOXJFMIHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2418745

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
331.4 331.1948 3.26 1 21.7 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.99 2.97 2.29 1 24 0.79

Structural Alerts

There are no structural alerts for CHEMBL2418745

Compound Cross References

ChemSpider ChemSpider:WPANEQFBKQNEAE-AOXJFMIHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2418745



PubChem 73352234
ZINC ZINC000096910744

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