85

Source:http://linkedlifedata.com/resource/chembl/compound/85

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C16H26N4/c1-2-7-18-16(5-1)14-20-10-8-19(9-11-20)13-15-4-3-6-17-12-15/h3-4,6,12,16,18H,1-2,5,7-11,13-14H2
chemicalCompound:standardIn...	DRPRVZRXXKNQLM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C(C1CCCCN1)N2CCN(Cc3cccnc3)CC2
chemicalCompound:molecularF...	C16 H26 N4
chemicalCompound:moleculeId	85
chemicalCompound:mwFreebase	274.404
chemicalCompound:alogp	1.259
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	31.4
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.835
chemicalCompound:acdLogD	-1.909
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	274.404
chemicalCompound:acdMostBpk...	10.33
chemicalCompound:chemblId	CHEMBL6283
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100085
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:857324, activity:857325