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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL228866
CHEMBL228866
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H28N2O2

Additional synonyms for CHEMBL228866 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@@](O)(N1CCC(CC1)NC(=O)c2cccc3ccccc23)c4ccccc4
Standard InChI InChI=1S/C25H28N2O2/c1-2-25(29,20-11-4-3-5-12-20)27-17-15-21 ...
Download InChI
Standard InChI Key GZABSIWUPRMDGW-VWLOTQADSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL228866

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
388.5 388.2151 4.29 5 52.57 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
13.96 7.83 4.38 3.91 3 29 0.69

Structural Alerts

There are 1 structural alerts for CHEMBL228866. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GZABSIWUPRMDGW-VWLOTQADSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL228866



BindingDB 50203477
PubChem 44426500
ZINC ZINC000028707238

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