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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3742264
CHEMBL3742264
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H14N2O3

Additional synonyms for CHEMBL3742264 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(NCCc1ccccc1)N2C(=O)Oc3ccccc23
Standard InChI InChI=1S/C16H14N2O3/c19-15(17-11-10-12-6-2-1-3-7-12)18-13-8- ...
Download InChI
Standard InChI Key XRODUAPZODEFNG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3742264

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
282.3 282.1004 2.39 3 64.24 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.44 - 2.77 2.77 3 21 0.8

Structural Alerts

There are no structural alerts for CHEMBL3742264

Compound Cross References

ChemSpider ChemSpider:XRODUAPZODEFNG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3742264



PubChem 23769487
ZINC ZINC000145200116

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