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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3310420
CHEMBL3310420
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H15N3O

Additional synonyms for CHEMBL3310420 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc2c(n[nH]c2c1)C(=O)NCc3ccccc3
Standard InChI InChI=1S/C16H15N3O/c1-11-7-8-13-14(9-11)18-19-15(13)16(20)17 ...
Download InChI
Standard InChI Key MGSPDHFVECFTLF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3310420

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
265.3 265.1215 2.8 3 57.78 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.99 .21 3.42 3.42 3 20 0.76

Structural Alerts

There are no structural alerts for CHEMBL3310420

Compound Cross References

ChemSpider ChemSpider:MGSPDHFVECFTLF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3310420



PubChem 118706493
ZINC ZINC000299838208

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