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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2426180
CHEMBL2426180
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H11Cl2N5O

Additional synonyms for CHEMBL2426180 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(NC(=O)Nc2ccnc(n2)c3ccncc3)cc1Cl
Standard InChI InChI=1S/C16H11Cl2N5O/c17-12-2-1-11(9-13(12)18)21-16(24)23-1 ...
Download InChI
Standard InChI Key OZFLAXMMJDKYTK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2426180

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
360.2 359.0341 4.49 3 79.8 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.13 2 4.33 4.33 3 24 0.72

Structural Alerts

There are no structural alerts for CHEMBL2426180

Compound Cross References

ChemSpider ChemSpider:OZFLAXMMJDKYTK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2426180



PubChem 49852960
ZINC ZINC000096934878

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