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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1300372
CHEMBL1300372
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H13N3O4

Additional synonyms for CHEMBL1300372 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccccc1C(=O)O\N=C(/N)\c2ccc(cc2)[N+](=O)[O-]
Standard InChI InChI=1S/C15H13N3O4/c1-10-4-2-3-5-13(10)15(19)22-17-14(16)11 ...
Download InChI
Standard InChI Key PPANOPSHRGASNI-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1300372

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
299.3 299.0906 2.38 4 107.82 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .08 3.02 3.02 2 22 0.31

Structural Alerts

There are 11 structural alerts for CHEMBL1300372. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PPANOPSHRGASNI-UHFFFAOYSA-N
PubChem SID: 47197962

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1300372



eMolecules 25917648
Mcule MCULE-7188868228
MolPort MolPort-002-208-811
PubChem 5730952 2903204 9586734
ZINC ZINC000004725387

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