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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL268542
CHEMBL268542
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H17ClF3NO2

Additional synonyms for CHEMBL268542 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.C[C@H](N)Cc1c2CCOc2c(c3CCOc13)C(F)(F)F
Standard InChI InChI=1S/C14H16F3NO2.ClH/c1-7(18)6-10-8-2-4-20-13(8)11(14(15 ...
Download InChI
Standard InChI Key DHIOYGIRMDZYNH-FJXQXJEOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL268542

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
287.3 287.1133 2.69 3 44.48 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.55 2.52 .42 1 20 0.93

Structural Alerts

There are no structural alerts for CHEMBL268542

Compound Cross References

ChemSpider ChemSpider:DHIOYGIRMDZYNH-FJXQXJEOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL268542



PubChem 10543930 49795908
PubChem: Thomson Pharma 15570767

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