96

Source:http://linkedlifedata.com/resource/chembl/compound/96

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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/c1-18-7-3-5-16(18)14-20-10-8-19(9-11-20)13-15-4-2-6-17-12-15/h2,4,6,12,16H,3,5,7-11,13-14H2,1H3/t16-/m0/s1
chemicalCompound:standardIn...	ULRNQAZROUDCII-INIZCTEOSA-N
chemicalCompound:canonicalS...	CN1CCC[C@H]1CN2CCN(Cc3cccnc3)CC2
chemicalCompound:molecularF...	C16 H26 N4
chemicalCompound:moleculeId	96
chemicalCompound:mwFreebase	274.404
chemicalCompound:alogp	1.338
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	22.61
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.436
chemicalCompound:acdLogD	-2.27
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	274.404
chemicalCompound:acdMostBpk...	10.349
chemicalCompound:chemblId	CHEMBL267915
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100096
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:838739, activity:838740