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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL343340
CHEMBL343340
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H24FNO3

Additional synonyms for CHEMBL343340 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(C(=O)OC1CCCN(CCF)C1)(c2ccccc2)c3ccccc3
Standard InChI InChI=1S/C21H24FNO3/c22-13-15-23-14-7-12-19(16-23)26-20(24)2 ...
Download InChI
Standard InChI Key KDHBCIPPYVMWKR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL343340

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
357.4 357.174 2.9 6 49.77 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.29 6.48 2.54 2.49 2 26 0.81

Structural Alerts

There are 6 structural alerts for CHEMBL343340. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KDHBCIPPYVMWKR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL343340



PubChem 44360221

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