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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL293255
CHEMBL293255
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H14Cl2N2

Additional synonyms for CHEMBL293255 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(Cn2cnc(c2)c3cccc(Cl)c3Cl)cc1
Standard InChI InChI=1S/C17H14Cl2N2/c1-12-5-7-13(8-6-12)9-21-10-16(20-11-21 ...
Download InChI
Standard InChI Key YNIRUERGIHZWEY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL293255

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
317.2 316.0534 5.21 3 17.82 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.35 5.01 5.01 3 21 0.65

Structural Alerts

There are no structural alerts for CHEMBL293255

Compound Cross References

ChemSpider ChemSpider:YNIRUERGIHZWEY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL293255



BindingDB 8752
PubChem 6539913
ZINC ZINC000014946219

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