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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1580069
CHEMBL1580069
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H13F2NO

Additional synonyms for CHEMBL1580069 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(cc1F)C(=O)N2CCCc3ccccc23
Standard InChI InChI=1S/C16H13F2NO/c17-13-8-7-12(10-14(13)18)16(20)19-9-3-5 ...
Download InChI
Standard InChI Key HTVWIURVPLJJDY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1580069

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
273.3 273.0965 3.76 1 20.31 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.13 3.13 2 20 0.77

Structural Alerts

There are no structural alerts for CHEMBL1580069

Compound Cross References

ChemSpider ChemSpider:HTVWIURVPLJJDY-UHFFFAOYSA-N
PubChem SID: 49642593

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1580069



eMolecules 1474544
PubChem 1081713
ZINC ZINC000000796966

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