674855

Source:http://linkedlifedata.com/resource/chembl/compound/674855

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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:96021
chemicalCompound:synonym	synonym:674855_Selegiline Hydrochloride_USAN, synonym:674855_Selegiline_BAN, synonym:674855_Selegiline_INN
chemicalCompound:standardIn...	InChI=1S/C13H17N.ClH/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13;/h1,5-9,12H,10-11H2,2-3H3;1H/t12-;/m1./s1
chemicalCompound:standardIn...	IYETZZCWLLUHIJ-UTONKHPSSA-N
chemicalCompound:canonicalS...	Cl.C[C@H](Cc1ccccc1)N(C)CC#C
chemicalCompound:molecularF...	C13H18ClN
chemicalCompound:moleculeId	674855
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	223.742
chemicalCompound:acdMostBpk...	7.532
chemicalCompound:chemblId	CHEMBL1200904
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774855
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	SELEGILINE HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:9087
chemicalCompound:firstAppro...	1989
chemicalCompound:activity	activity:4741678, activity:6652977, activity:6917508, activity:7005940