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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL560021
CHEMBL560021
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H7Cl2N3O

Additional synonyms for CHEMBL560021 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(NC(=O)c2ccncn2)cc1Cl
Standard InChI InChI=1S/C11H7Cl2N3O/c12-8-2-1-7(5-9(8)13)16-11(17)10-3-4-14 ...
Download InChI
Standard InChI Key LCFLTITYNXLCQW-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL560021

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
268.1 266.9966 3.04 2 54.88 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.24 - 2.96 2.96 2 17 0.91

Structural Alerts

There are no structural alerts for CHEMBL560021

Compound Cross References

ChemSpider ChemSpider:LCFLTITYNXLCQW-UHFFFAOYSA-N
PubChem SID: 85240638

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL560021



BindingDB 50293734
PubChem 44191099
PubChem: Thomson Pharma 85186802

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