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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL499536
CHEMBL499536
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H21FN2O2

Additional synonyms for CHEMBL499536 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](OC(=O)N[C@@H]1CN2CCC1CC2)c3ccccc3F
Standard InChI InChI=1S/C16H21FN2O2/c1-11(13-4-2-3-5-14(13)17)21-16(20)18-1 ...
Download InChI
Standard InChI Key HQYLURGLNKLOQJ-XHDPSFHLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL499536

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
292.4 292.1587 2.71 3 41.57 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 12.08 3.05 .85 1 21 0.93

Structural Alerts

There are 1 structural alerts for CHEMBL499536. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HQYLURGLNKLOQJ-XHDPSFHLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL499536



BindingDB 50248045
IBM Patent System B431AE593D119CAAFC360AF691A6F039
Nikkaji J2.748.591J
PubChem 11679149
PubChem: Thomson Pharma 85167667
SureChEMBL SCHEMBL1459307

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