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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL211436
CHEMBL211436
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14N6O8

Additional synonyms for CHEMBL211436 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)[N+](=NOc1cc(Nc2ccc(cc2)C(=O)O)c(cc1[N+](=O)[O-])[N+](= ...
Download SMILES
Standard InChI InChI=1S/C15H14N6O8/c1-18(2)21(28)17-29-14-7-11(12(19(24)25) ...
Download InChI
Standard InChI Key XAARCECGRZMFSP-HEHNFIMWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL211436

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
406.3 406.0873 2.68 8 186.51 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 2 0 14 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.74 - 2 29 0.29

Structural Alerts

There are 18 structural alerts for CHEMBL211436. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XAARCECGRZMFSP-HEHNFIMWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL211436



PubChem 44413800
ZINC ZINC000040566872

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