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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL63859
CHEMBL63859
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H26N2O6

Additional synonyms for CHEMBL63859 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCC(CO)(CO)NCCCNC(CO)(CO)CO
Standard InChI InChI=1S/C11H26N2O6/c14-4-10(5-15,6-16)12-2-1-3-13-11(7-17,8 ...
Download InChI
Standard InChI Key HHKZCCWKTZRCCL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL63859

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
282.3 282.1791 -4.02 12 145.44 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 8 1 8 8 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.79 -2.79 -3.37 0 19 0.17

Structural Alerts

There are 2 structural alerts for CHEMBL63859. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HHKZCCWKTZRCCL-UHFFFAOYSA-N
Wikipedia Bis-tris_propane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL63859



ACToR 64431-96-5
Brenda 92800 40362 146990
ChEBI 40947
DrugBank DB02676
eMolecules 483166
IBM Patent System 7367E26BC9713D0EE0B5D8309349457D
MolPort MolPort-003-926-732
Nikkaji J208.082F
PDBe B3P
PubChem 125132
PubChem: Thomson Pharma 14775375
SureChEMBL SCHEMBL98750
ZINC ZINC000004521259

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