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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1304050
CHEMBL1304050
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H16N2O2

Additional synonyms for CHEMBL1304050 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)C(=O)c1cc(c[nH]1)C(=O)Cc2ccccc2
Standard InChI InChI=1S/C15H16N2O2/c1-17(2)15(19)13-9-12(10-16-13)14(18)8-1 ...
Download InChI
Standard InChI Key VQYDCOAQBHNBAP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1304050

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 2.14 4 53.17 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.12 2.12 2 19 0.85

Structural Alerts

There are 1 structural alerts for CHEMBL1304050. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VQYDCOAQBHNBAP-UHFFFAOYSA-N
PubChem SID: 49665742

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1304050



eMolecules 36797718
Mcule MCULE-5066445786
MolPort MolPort-002-864-216
PubChem 1473194
ZINC ZINC000001384758

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