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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL417403
CHEMBL417403
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H14Cl2N2O3

Additional synonyms for CHEMBL417403 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)C(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)C(=O)O
Standard InChI InChI=1S/C14H14Cl2N2O3/c1-18(2)11(19)4-3-8-12-9(16)5-7(15)6- ...
Download InChI
Standard InChI Key OMKIJVMXZHQHMM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL417403

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
329.2 328.0381 3.19 4 73.4 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.05 - 2.31 -.68 2 21 0.9

Structural Alerts

There are no structural alerts for CHEMBL417403

Compound Cross References

ChemSpider ChemSpider:OMKIJVMXZHQHMM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL417403



PubChem 44305074
ZINC ZINC000013490376

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