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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

Structural Alerts

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

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

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
ChEBI 40947
DrugBank DB02676
eMolecules 483166
IBM Patent System 7367E26BC9713D0EE0B5D8309349457D
IBM Patents WO2002010166A1 US6395724 EP1744159A1 EP1700849A1 EP0975805A1 US6436435 EP1705248A1 WO2010144358A1 EP1212300B1 US6290969 EP1335917B1 WO1999035248A2 US20030228613 US20050042684 US6762213 US20080248527 EP1102602B1 EP1194428A1 US6992192 US6486174 US20100210556 US20100080760 WO1998016646A2 EP1625210A2 EP0943338A1 EP1313736A2 WO2004016267A1 WO2006002934A1 US7276491 US6875759 US20100035787 US20100204148 EP1836173A2 WO2008057240A2 US7381797 EP1243596A2 WO2001053480A1 US20100204090 WO2004014870A1 US6582750 US20090117114 US20100197572 US6093693 EP1383765B1 WO2003106572A1 WO2003023067A1 US6069299 EP1311540A2 US20030100467 US5780440 EP1413302A2 WO2002038077A2 EP1202718A2 US6979442 US20050202498 US20100267842 EP1347055A2 EP0916949B1 US20090312285 US20090131303 US7501272 US20040023960 US20100184678 US20100234442 EP1185705B1 EP1973408A2 EP0920631A1 US20070269843 US20100078020 US20100204107 EP1585827A2 US20070014809 EP1398379B1 EP1444355A2 US20040152705 WO2001050874A2 EP0638123B1 US20040033236 US20100210538 EP1337262A2 EP2012937A2 EP0671000B1 US5403750 US6911545 EP2089428A2 US6835549 US5126433 EP1036063A1 US20070098818 US20090111737 EP1305429A2 US6465633 US20100249017 WO1999042486A1 US5741819 US20030054395 US6420359 US6812330 US6225302 US5110906
MolPort MolPort-003-926-732
Nikkaji J208.082F
PDBe B3P
PubChem 125132
PubChem: Thomson Pharma 14775375
SureChEMBL SCHEMBL98750

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