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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL7215
CHEMBL7215
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H18N2O2

Additional synonyms for CHEMBL7215 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(=O)Nc1ccc(Nc2cccc(OC)c2)cc1
Standard InChI InChI=1S/C16H18N2O2/c1-3-16(19)18-13-9-7-12(8-10-13)17-14-5- ...
Download InChI
Standard InChI Key XBZLMCBSXYHECZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL7215

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
270.3 270.1368 3.79 5 50.36 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.49 2.98 2.98 2 20 0.87

Structural Alerts

There are no structural alerts for CHEMBL7215

Compound Cross References

ChemSpider ChemSpider:XBZLMCBSXYHECZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL7215



BindingDB 50142219
PubChem 44264706

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