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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL549330
CHEMBL549330
Compound Name
ChEMBL Synonyms N-(3,4-Dichlorophenyl)Picolinamide
Max Phase 0
Trade Names
Molecular Formula C12H8Cl2N2O

Additional synonyms for CHEMBL549330 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(NC(=O)c2ccccn2)cc1Cl
Standard InChI InChI=1S/C12H8Cl2N2O/c13-9-5-4-8(7-10(9)14)16-12(17)11-3-1-2 ...
Download InChI
Standard InChI Key LHHAMCVPALNXOF-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL549330

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
267.1 266.0014 3.64 2 41.99 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.36 2.21 3.49 3.49 2 17 0.9

Structural Alerts

There are no structural alerts for CHEMBL549330

Compound Cross References

ChemSpider ChemSpider:LHHAMCVPALNXOF-UHFFFAOYSA-N
PubChem SID: 85240642

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL549330



BindingDB 50293732
eMolecules 3426287
Mcule MCULE-7166060281
MolPort MolPort-004-092-673
PubChem 4644726
SureChEMBL SCHEMBL6278943
ZINC ZINC000003065515

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