705012

Source:http://linkedlifedata.com/resource/chembl/compound/705012

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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:5884
chemicalCompound:standardIn...	InChI=1S/C10H13ClN2.2ClH/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;;/h1-3,8,12H,4-7H2;2*1H
chemicalCompound:standardIn...	OSZCTRWSGNWWBL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cl.Clc1cccc(c1)N2CCNCC2
chemicalCompound:molecularF...	C10H15Cl3N2
chemicalCompound:moleculeId	705012
chemicalCompound:mwFreebase	196.677
chemicalCompound:alogp	2.078
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	15.27
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.739
chemicalCompound:acdLogD	0.559
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	269.599
chemicalCompound:acdMostBpk...	8.852
chemicalCompound:chemblId	CHEMBL1256029
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:805012
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:3481311, activity:3489269, activity:3489346, activity:3634937, activity:3778329, activity:3989156, activity:4279339, activity:4536111, activity:4749967, activity:4937797, activity:5033250, activity:5730611, activity:5856584, activity:7005177, activity:7496049