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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL371069
CHEMBL371069
Compound Name
ChEMBL Synonyms SCH-205831
Max Phase 0
Trade Names
Molecular Formula C27H28F3NO2

Additional synonyms for CHEMBL371069 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c4ccc(cn4)c ...
Download SMILES
Standard InChI InChI=1S/C27H28F3NO2/c1-16-25-23(22-8-3-2-5-18(22)14-24(25)2 ...
Download InChI
Standard InChI Key PQLBJVPZXNPVOS-HLBWOJLBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL371069

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
455.5 455.2072 6.78 3 39.19 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.91 6.83 6.83 2 33 0.48

Structural Alerts

There are 1 structural alerts for CHEMBL371069. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PQLBJVPZXNPVOS-HLBWOJLBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL371069



BindingDB 50173419
PubChem 9804049
PubChem: Drugs of the Future 136349966
PubChem: Thomson Pharma 14760132 14808836
SureChEMBL SCHEMBL1106195

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