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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL302870
CHEMBL302870
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H29FO3

Additional synonyms for CHEMBL302870 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]1 ...
Download SMILES
Standard InChI InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19 ...
Download InChI
Standard InChI Key YLRFCQOZQXIBAB-UKPFUUFUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL302870

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
336.5 336.2101 3.33 0 57.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.4 - 2.27 2.27 0 24 0.71

Structural Alerts

There are 2 structural alerts for CHEMBL302870. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YLRFCQOZQXIBAB-UKPFUUFUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL302870



BindingDB 50073060
PubChem 10088392
SureChEMBL SCHEMBL10324977

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