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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL64014
CHEMBL64014
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H16N2O

Additional synonyms for CHEMBL64014 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)NCc1ccc2c(c1)c3ccccc3n2C
Standard InChI InChI=1S/C16H16N2O/c1-11(19)17-10-12-7-8-16-14(9-12)13-5-3-4 ...
Download InChI
Standard InChI Key MNYCDKPEAONBQK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL64014

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
252.3 252.1263 2.97 2 34.03 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.77 2.77 3 19 0.75

Structural Alerts

There are no structural alerts for CHEMBL64014

Compound Cross References

ChemSpider ChemSpider:MNYCDKPEAONBQK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL64014



PubChem 10354857
PubChem: Thomson Pharma 15367282
ZINC ZINC000026184985

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