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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3311533
CHEMBL3311533
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H16N2O2

Additional synonyms for CHEMBL3311533 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCC(=O)Nc1cccc(OCc2ccccc2)c1
Standard InChI InChI=1S/C15H16N2O2/c16-10-15(18)17-13-7-4-8-14(9-13)19-11-1 ...
Download InChI
Standard InChI Key UYHPDAQDFCVINF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3311533

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
256.3 256.1212 2.16 5 64.35 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.43 7.62 2.26 2.14 2 19 0.86

Structural Alerts

There are no structural alerts for CHEMBL3311533

Compound Cross References

ChemSpider ChemSpider:UYHPDAQDFCVINF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3311533



BindingDB 50048537
Brenda 206375
PubChem 39358132
ZINC ZINC000032109036

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