548514

Source:http://linkedlifedata.com/resource/chembl/compound/548514

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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:121477
chemicalCompound:synonym	synonym:548514_Medetomidine hydrochloride_OTHER
chemicalCompound:standardIn...	InChI=1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H
chemicalCompound:standardIn...	VPNGEIHDPSLNMU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC(c1c[nH]cn1)c2cccc(C)c2C
chemicalCompound:molecularF...	C13H17ClN2
chemicalCompound:moleculeId	548514
chemicalCompound:mwFreebase	200.28
chemicalCompound:alogp	3.133
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	28.68
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.791
chemicalCompound:acdLogD	2.66
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	236.74
chemicalCompound:acdMostBpk...	6.648
chemicalCompound:chemblId	CHEMBL537161
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:648514
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	MEDETOMIDINE HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:48556
chemicalCompound:firstAppro...	1999
chemicalCompound:activity	activity:906802, activity:906803, activity:906804, activity:906805, activity:906806