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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL132886
CHEMBL132886
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H44N4O5

Additional synonyms for CHEMBL132886 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c2ccccc2)C(=O)C(=O)NCCCN ...
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Standard InChI InChI=1S/C32H44N4O5/c1-4-26(29(37)32(40)33-16-11-17-36-18-20 ...
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Standard InChI Key YFQOCPUAXDVMOS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL132886

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
564.7 564.3312 2.65 15 116.84 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 1 9 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.94 7.07 4.1 3.94 2 41 0.23

Structural Alerts

There are 10 structural alerts for CHEMBL132886. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YFQOCPUAXDVMOS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL132886



BindingDB 50053795
PubChem 44353632

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