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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2431862
CHEMBL2431862
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H15N3O3

Additional synonyms for CHEMBL2431862 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1cccc1C(=O)NCc2ccc(cc2)C(=O)NO
Standard InChI InChI=1S/C14H15N3O3/c1-17-8-2-3-12(17)14(19)15-9-10-4-6-11(7 ...
Download InChI
Standard InChI Key FOBBYTXDJVRRLB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2431862

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
273.3 273.1113 1.07 4 83.36 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.89 - .2 .19 2 20 0.58

Structural Alerts

There are 5 structural alerts for CHEMBL2431862. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FOBBYTXDJVRRLB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2431862



BindingDB 50440912
PubChem 73333311
ZINC ZINC000096284628

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