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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL426137
CHEMBL426137
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H10ClN5

Additional synonyms for CHEMBL426137 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1cccc(c1)c2nnnn2Cc3cccnc3
Standard InChI InChI=1S/C13H10ClN5/c14-12-5-1-4-11(7-12)13-16-17-18-19(13)9 ...
Download InChI
Standard InChI Key AJXOJFQLPOHFGS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL426137

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
271.7 271.0625 2.44 3 56.49 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.15 2.88 2.88 3 19 0.73

Structural Alerts

There are no structural alerts for CHEMBL426137

Compound Cross References

ChemSpider ChemSpider:AJXOJFQLPOHFGS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL426137



BindingDB 50410953
PubChem 11644745
PubChem: Thomson Pharma 16748081
ZINC ZINC000035994599

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