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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2164227
CHEMBL2164227
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H32ClNO5

Additional synonyms for CHEMBL2164227 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
Standard InChI InChI=1S/C15H31NO5.ClH/c1-2-3-4-5-6-7-8-9-16-10-11(17)13(19) ...
Download InChI
Standard InChI Key ZUOIFMDWWWFLMP-UCCAYHTDSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2164227

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
305.4 305.2202 -0.49 9 113.18 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.23 9.21 1.38 -.35 0 21 0.32

Structural Alerts

There are 7 structural alerts for CHEMBL2164227. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZUOIFMDWWWFLMP-UCCAYHTDSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2164227



PubChem: Thomson Pharma 137279729

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