4652

Source:http://linkedlifedata.com/resource/chembl/compound/4652

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3
chemicalCompound:standardIn...	MEZLKOACVSPNER-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(Cc1ccccc1)N(C)CC#C
chemicalCompound:molecularF...	C13H17N
chemicalCompound:moleculeId	4652
chemicalCompound:mwFreebase	187.281
chemicalCompound:alogp	3.794
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	3.24
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.682
chemicalCompound:acdLogD	2.31
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	187.281
chemicalCompound:acdMostBpk...	7.532
chemicalCompound:chemblId	CHEMBL8663
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:104652
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:50217