ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL19880
CHEMBL19880
Compound Name
ChEMBL Synonyms 1,4,7,10Tetraaza-Cyclododecane | 1,4,7,10-Tetraazacyclododecane | 1,4,7,10-Tetraaza-Cyclododecane
Max Phase 0
Trade Names
Molecular Formula C8H20N4

Additional synonyms for CHEMBL19880 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CNCCNCCNCCN1
Standard InChI InChI=1S/C8H20N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h9-12H,1-8H2
Standard InChI Key QBPPRVHXOZRESW-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL19880

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
172.3 172.1688 -1.59 0 48.12 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.53 -3 -7.09 0 12 0.36

Structural Alerts

There are 3 structural alerts for CHEMBL19880. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QBPPRVHXOZRESW-UHFFFAOYSA-N
PubChem SID: 494510 SID: 855798
Wikipedia Cyclen

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL19880



ACToR 294-90-6
ChEBI 37391
eMolecules 499192
EPA CompTox Dashboard DTXSID60183621
FDA SRS 964584YO2O
IBM Patent System 43910384152896A8C6D3DBB581507566
Mcule MCULE-7470482825
MolPort MolPort-001-770-789
Nikkaji J530.921B
PDBe YCN
PubChem 64963
PubChem: Thomson Pharma 15091439
SureChEMBL SCHEMBL22003

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