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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL228234
CHEMBL228234
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H12ClFN2O3

Additional synonyms for CHEMBL228234 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1ccccc1NC(=O)CNc2ccc(F)c(Cl)c2
Standard InChI InChI=1S/C15H12ClFN2O3/c16-11-7-9(5-6-12(11)17)18-8-14(20)19 ...
Download InChI
Standard InChI Key CDSJNKUAOVDAPF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL228234

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
322.7 322.052 3.23 5 78.43 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.32 2.25 3.13 .05 2 22 0.79

Structural Alerts

There are no structural alerts for CHEMBL228234

Compound Cross References

ChemSpider ChemSpider:CDSJNKUAOVDAPF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL228234



IBM Patent System 850AF7ABDC85C96AD5FD7A53CBDA6C71
PubChem 11244189
PubChem: Thomson Pharma 16328780
SureChEMBL SCHEMBL4913029
ZINC ZINC000028642919

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