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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2181467
CHEMBL2181467
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C40H44N4O4

Additional synonyms for CHEMBL2181467 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c3ccccc3)C(= ...
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Standard InChI InChI=1S/C40H44N4O4/c41-25-13-12-22-35(39(47)42-27-34(29-14- ...
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Standard InChI Key LEINOXRFIYQSFV-ZPGRZCPFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2181467

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
644.8 644.3363 5.17 15 121.6 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 2 8 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.52 10.44 4.06 1.31 4 48 0.12

Structural Alerts

There are 4 structural alerts for CHEMBL2181467. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LEINOXRFIYQSFV-ZPGRZCPFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2181467



BindingDB 50399980
PubChem 71457439
ZINC ZINC000095579631

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