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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL219186
CHEMBL219186
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H22FN3O2

Additional synonyms for CHEMBL219186 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(ccc1F)C(=O)NCN2CCC(CC2)c3cccc[n+]3[O-]
Standard InChI InChI=1S/C19H22FN3O2/c1-14-12-16(5-6-17(14)20)19(24)21-13-22 ...
Download InChI
Standard InChI Key DFUMNURDHJNHTI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL219186

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
343.4 343.1696 2.33 4 59.28 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.84 1.54 1.43 2 25 0.68

Structural Alerts

There are 4 structural alerts for CHEMBL219186. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DFUMNURDHJNHTI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL219186



BindingDB 50200052
IBM Patent System F772014A15F0C72356745555CC0CBA82
PubChem 10088811
PubChem: Thomson Pharma 15075790
SureChEMBL SCHEMBL4003579
ZINC ZINC000038149984

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