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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL69530
CHEMBL69530
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H21N3

Additional synonyms for CHEMBL69530 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCNCCc1c[nH]cn1
Standard InChI InChI=1S/C11H21N3/c1-2-3-4-5-7-12-8-6-11-9-13-10-14-11/h9-10 ...
Download InChI
Standard InChI Key MXLOXTMJEAHTMC-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL69530

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
195.3 195.1735 2.12 8 40.71 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.19 2.78 .02 1 14 0.62

Structural Alerts

There are 3 structural alerts for CHEMBL69530. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MXLOXTMJEAHTMC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL69530



Nikkaji J328.361E
PubChem 382262

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