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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1571371
CHEMBL1571371
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H13N3O3

Additional synonyms for CHEMBL1571371 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C(=O)Nc1cccnc1)c2ccc(cc2)[N+](=O)[O-]
Standard InChI InChI=1S/C14H13N3O3/c1-10(11-4-6-13(7-5-11)17(19)20)14(18)16 ...
Download InChI
Standard InChI Key ARZVFIFKEQOLHM-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1571371

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
271.3 271.0957 2.73 4 85.13 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.98 4.29 1.98 1.98 2 20 0.68

Structural Alerts

There are 4 structural alerts for CHEMBL1571371. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ARZVFIFKEQOLHM-UHFFFAOYSA-N
PubChem SID: 24782434

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1571371



eMolecules 2222631
Mcule MCULE-2229067016
MolPort MolPort-002-258-585
PubChem 2944416

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