782173

Source:http://linkedlifedata.com/resource/chembl/compound/782173

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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:6182
chemicalCompound:standardIn...	InChI=1S/C11H13F3N2.ClH/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16;/h1-3,8,15H,4-7H2;1H
chemicalCompound:standardIn...	DGNLGWJZZZOYPT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.FC(F)(F)c1cccc(c1)N2CCNCC2
chemicalCompound:molecularF...	C11H14ClF3N2
chemicalCompound:moleculeId	782173
chemicalCompound:mwFreebase	230.23
chemicalCompound:alogp	2.355
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	15.27
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.929
chemicalCompound:acdLogD	0.723
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	266.69
chemicalCompound:acdMostBpk...	8.881
chemicalCompound:chemblId	CHEMBL1358289
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:882173
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:3764469, activity:4016163, activity:4297244, activity:4379386, activity:4515636, activity:5853868