1151830

Source:http://linkedlifedata.com/resource/chembl/compound/1151830

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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:675
chemicalCompound:standardIn...	InChI=1S/C11H13ClN2.ClH/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8;/h1,4,6,8-10,14H,2-3,5H2;1H
chemicalCompound:standardIn...	BLGAWVGDKRRESC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Clc1ccc(cn1)C2CC3CCC2N3
chemicalCompound:molecularF...	C11H14Cl2N2
chemicalCompound:moleculeId	1151830
chemicalCompound:mwFreebase	208.687
chemicalCompound:alogp	1.838
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	24.92
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.98
chemicalCompound:acdLogD	-0.503
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	245.148
chemicalCompound:acdMostBpk...	10.07
chemicalCompound:chemblId	CHEMBL1788166
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1251830
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:1847052, activity:1847057, activity:1847062, activity:1847067, activity:1847072, activity:1847073