676449

Source:http://linkedlifedata.com/resource/chembl/compound/676449

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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:40369
chemicalCompound:standardIn...	InChI=1S/C16H38N4.4ClH/c1-2-18-15-10-16-20-13-8-6-4-3-5-7-12-19-14-9-11-17;;;;/h18-20H,2-17H2,1H3;4*1H
chemicalCompound:standardIn...	YTMWNZSTHPHUKQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cl.Cl.Cl.CCNCCCNCCCCCCCCNCCCN
chemicalCompound:molecularF...	C16H42Cl4N4
chemicalCompound:moleculeId	676449
chemicalCompound:mwFreebase	286.5
chemicalCompound:alogp	1.101
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	62.11
chemicalCompound:rtb	17
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.143
chemicalCompound:acdLogD	-3.79
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	432.343
chemicalCompound:acdMostBpk...	10.877
chemicalCompound:chemblId	CHEMBL1202498
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:776449
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:803970, activity:803971, activity:803972, activity:803973, activity:803974, activity:803975, activity:803976, activity:803977, activity:803978