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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL551310
CHEMBL551310
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H24N2O

Additional synonyms for CHEMBL551310 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(CN2CCC(CC2)C(=O)Nc3ccccc3)cc1
Standard InChI InChI=1S/C20H24N2O/c1-16-7-9-17(10-8-16)15-22-13-11-18(12-14 ...
Download InChI
Standard InChI Key FZDXHMKECYBJGV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL551310

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
308.4 308.1889 3.85 4 32.34 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
- 8.24 4 3.24 2 23 0.93

Structural Alerts

There are no structural alerts for CHEMBL551310

Compound Cross References

ChemSpider ChemSpider:FZDXHMKECYBJGV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL551310



BindingDB 50295420
eMolecules 6042931
Mcule MCULE-8838661587
MolPort MolPort-003-672-301
PubChem 26674630
PubChem: Thomson Pharma 85282708
ZINC ZINC000015550708

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