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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3114413
CHEMBL3114413
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H26ClNO4

Additional synonyms for CHEMBL3114413 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.NCc1c(OCCCCO)cccc1OCCCCO
Standard InChI InChI=1S/C15H25NO4.ClH/c16-12-13-14(19-10-3-1-8-17)6-5-7-15( ...
Download InChI
Standard InChI Key KMIKWUOAHJQLHF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3114413

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
283.4 283.1784 1.11 11 84.94 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.22 1.16 -.66 1 20 0.53

Structural Alerts

There are 2 structural alerts for CHEMBL3114413. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KMIKWUOAHJQLHF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3114413



PubChem 76325050

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