6016

Source:http://linkedlifedata.com/resource/chembl/compound/6016

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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/C10H13FN2/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
chemicalCompound:standardIn...	IVTZRJKKXSKXKO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccccc1N2CCNCC2
chemicalCompound:molecularF...	C10 H13 F N2
chemicalCompound:moleculeId	6016
chemicalCompound:mwFreebase	180.222
chemicalCompound:alogp	1.619
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	15.27
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.382
chemicalCompound:acdLogD	0.264
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	180.222
chemicalCompound:acdMostBpk...	8.776
chemicalCompound:chemblId	CHEMBL9429
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:106016
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:398066, activity:398067, activity:398068, activity:398069, activity:398070, activity:398071, activity:398072, activity:398073, activity:398074