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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL28743
CHEMBL28743
Compound Name NORSPERMIDINE
ChEMBL Synonyms Norspermidine | norspermidine
Max Phase 0
Trade Names
Molecular Formula C6H17N3

Additional synonyms for CHEMBL28743 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCCNCCCN
Standard InChI InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2
Standard InChI Key OTBHHUPVCYLGQO-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL28743

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
131.2 131.1422 -1.75 6 64.06 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.5 -.83 -5.2 0 9 0.38

Structural Alerts

There are 3 structural alerts for CHEMBL28743. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OTBHHUPVCYLGQO-UHFFFAOYSA-N
PubChem SID: 144210045
Wikipedia Norspermidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL28743



ACToR 56-18-8
BindingDB 50009367
Brenda 92796 43233 7488 20390 109215 21554 10788
ChEBI 16841
eMolecules 482001
EPA CompTox Dashboard DTXSID0025440
FDA SRS RN1144MGND
Human Metabolome Database HMDB0011634
IBM Patent System B1676EA62909850B284D7D87A3D3F753
KEGG Ligand C03375
Mcule MCULE-3936851596
MolPort MolPort-003-926-486
Nikkaji J9.891D
PDBe NSD
PubChem 5942
PubChem: Thomson Pharma 15321374
SureChEMBL SCHEMBL15387
ZINC ZINC000001529642

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