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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2064464
CHEMBL2064464
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H43N5O

Additional synonyms for CHEMBL2064464 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(CCC(=O)N1CCN(CCNc2c3CCCCc3nc4ccccc24)CC1)C5CCCCC5
Standard InChI InChI=1S/C29H43N5O/c1-32(23-9-3-2-4-10-23)17-15-28(35)34-21- ...
Download InChI
Standard InChI Key LCJXIGPIXIZELV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2064464

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
477.7 477.3468 4.32 8 51.71 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.33 4.9 1.83 2 35 0.61

Structural Alerts

There are no structural alerts for CHEMBL2064464

Compound Cross References

ChemSpider ChemSpider:LCJXIGPIXIZELV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2064464



BindingDB 50389383
PubChem 70692911
PubChem: Thomson Pharma 163459241
ZINC ZINC000084669561

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