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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2348280
CHEMBL2348280
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H24N2O2

Additional synonyms for CHEMBL2348280 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCN1C(=C(C)C=C(NC(=O)c2cccc3ccccc23)C1=O)C
Standard InChI InChI=1S/C22H24N2O2/c1-4-5-13-24-16(3)15(2)14-20(22(24)26)23 ...
Download InChI
Standard InChI Key LMXRPBOFMWAPJK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2348280

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
348.4 348.1838 3.57 5 49.41 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
11.14 .1 3.52 3.52 2 26 0.9

Structural Alerts

There are 1 structural alerts for CHEMBL2348280. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LMXRPBOFMWAPJK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2348280



BindingDB 50431426
PubChem 71583424
PubChem: Thomson Pharma 163635414
ZINC ZINC000095604463

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