6094

Source:http://linkedlifedata.com/resource/chembl/compound/6094

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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/C13H20N2/c1-11(2)12-5-3-4-6-13(12)15-9-7-14-8-10-15/h3-6,11,14H,7-10H2,1-2H3
chemicalCompound:standardIn...	JQQVFOBGUYOMQP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)c1ccccc1N2CCNCC2
chemicalCompound:molecularF...	C13 H20 N2
chemicalCompound:moleculeId	6094
chemicalCompound:mwFreebase	204.311
chemicalCompound:alogp	2.607
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	15.27
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.683
chemicalCompound:acdLogD	1.414
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	204.311
chemicalCompound:acdMostBpk...	8.948
chemicalCompound:chemblId	CHEMBL276156
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:106094
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:401952, activity:401953, activity:401954, activity:401955, activity:401956, activity:401957, activity:401958, activity:401959, activity:401960