1150556

Source:http://linkedlifedata.com/resource/chembl/compound/1150556

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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:170539
chemicalCompound:standardIn...	InChI=1S/C12H16N2.ClH/c1-2-11(9-13-5-1)12-8-10-3-6-14(12)7-4-10;/h1-2,5,9-10,12H,3-4,6-8H2;1H
chemicalCompound:standardIn...	MPKQUMIEFXBHIU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.C1CN2CCC1CC2c3cccnc3
chemicalCompound:molecularF...	C12H17ClN2
chemicalCompound:moleculeId	1150556
chemicalCompound:mwFreebase	188.269
chemicalCompound:alogp	1.539
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	16.13
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.512
chemicalCompound:acdLogD	-0.483
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	224.73
chemicalCompound:acdMostBpk...	9.411
chemicalCompound:chemblId	CHEMBL1783885
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1250556
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:6227851, activity:6227863, activity:6227875, activity:6227885, activity:6227897, activity:6227907, activity:6227919, activity:6227935, activity:6227947, activity:6227957, activity:6227966