552156

Source:http://linkedlifedata.com/resource/chembl/compound/552156

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:668678
chemicalCompound:standardIn...	InChI=1S/C46H62N8.2ClH/c47-27-17-35-53(31-13-1-11-29-49-45-37-19-3-7-23-41(37)51-42-24-8-4-20-38(42)45)33-15-16-34-54(36-18-28-48)32-14-2-12-30-50-46-39-21-5-9-25-43(39)52-44-26-10-6-22-40(44)46;;/h3-10,19-26H,1-2,11-18,27-36,47-48H2,(H,49,51)(H,50,52);2*1H
chemicalCompound:standardIn...	VHXMBAIWPHJOQZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cl.NCCCN(CCCCCNc1c2ccccc2nc3ccccc13)CCCCN(CCCN)CCCCCNc4c5ccccc5nc6ccccc46
chemicalCompound:molecularF...	C46H64Cl2N8
chemicalCompound:moleculeId	552156
chemicalCompound:mwFreebase	727.038
chemicalCompound:alogp	7.726
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	108.36
chemicalCompound:rtb	25
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	7.725
chemicalCompound:acdLogD	0.722
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	799.96
chemicalCompound:acdMostBpk...	10.471
chemicalCompound:chemblId	CHEMBL553168
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:652156
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:928413, activity:928414