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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1202895
CHEMBL1202895
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H24ClF3N2O2

Additional synonyms for CHEMBL1202895 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CCC(CC)N1CCN(CC1)C(=O)c2ccc(OC(F)(F)F)cc2
Standard InChI InChI=1S/C17H23F3N2O2.ClH/c1-3-14(4-2)21-9-11-22(12-10-21)16 ...
Download InChI
Standard InChI Key DEMASEQFNDZQPL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1202895

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
344.4 344.1712 3.53 5 32.78 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.54 3.15 2.77 1 24 0.82

Structural Alerts

There are no structural alerts for CHEMBL1202895

Compound Cross References

ChemSpider ChemSpider:DEMASEQFNDZQPL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1202895



PubChem 18456467
SureChEMBL SCHEMBL4378203

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