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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL218933
CHEMBL218933
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H28F3NO3

Additional synonyms for CHEMBL218933 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](\C=C\c4cc ...
Download SMILES
Standard InChI InChI=1S/C27H28F3NO3/c1-15-25-23(22-10-8-21(32)12-18(22)13-2 ...
Download InChI
Standard InChI Key FVAAQSUEOKFSPP-ZYLBBPIUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL218933

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
471.5 471.2021 5.76 3 59.42 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 1 4 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.91 4.95 4.95 2 34 0.58

Structural Alerts

There are 1 structural alerts for CHEMBL218933. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FVAAQSUEOKFSPP-ZYLBBPIUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL218933



BindingDB 50202073
PubChem 9890926
PubChem: Thomson Pharma 14858641
SureChEMBL SCHEMBL14375452
ZINC ZINC000003940304

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