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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2164231
CHEMBL2164231
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H50ClNO5

Additional synonyms for CHEMBL2164231 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O ...
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Standard InChI InChI=1S/C24H49NO5.ClH/c1-3-5-7-9-11-13-15-17-25-19-20(26)21 ...
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Standard InChI Key HPEXWAJKACHIOK-DUDGHPDOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2164231

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
431.7 431.3611 3.29 18 102.18 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.44 9.1 7.05 5.35 0 30 0.21

Structural Alerts

There are 7 structural alerts for CHEMBL2164231. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HPEXWAJKACHIOK-DUDGHPDOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2164231



PubChem 57522156
PubChem: Thomson Pharma 137279733

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