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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1494222
CHEMBL1494222
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14N2O4

Additional synonyms for CHEMBL1494222 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [O-][N+](=O)c1ccccc1C(=O)NCCOc2ccccc2
Standard InChI InChI=1S/C15H14N2O4/c18-15(13-8-4-5-9-14(13)17(19)20)16-10-1 ...
Download InChI
Standard InChI Key MFEOMOJIUVBERO-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1494222

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
286.3 286.0954 2.4 6 81.47 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
13.11 - 2.54 2.54 2 21 0.5

Structural Alerts

There are 5 structural alerts for CHEMBL1494222. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MFEOMOJIUVBERO-UHFFFAOYSA-N
PubChem SID: 24783404

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1494222



eMolecules 2087121
Mcule MCULE-8118778621
MolPort MolPort-001-495-192
PubChem 2253073
ZINC ZINC000002906017

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