399361

Source:http://linkedlifedata.com/resource/chembl/compound/399361

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Named Graph Language Inference

Statements in which the resource exists.
Subject	Predicate	Object	Context
chemicalCompound:399361	rdf:type	chembl:ChemicalCompound	lld:chembl
chemicalCompound:399361	chemicalCompound:synonym	synonym:399361_Aprepitant_F...	lld:chembl
chemicalCompound:399361	chemicalCompound:synonym	synonym:399361_Aprepitant_I...	lld:chembl
chemicalCompound:399361	chemicalCompound:synonym	synonym:399361_Aprepitant_U...	lld:chembl
chemicalCompound:399361	chemicalCompound:synonym	synonym:399361_Emend_TRADE_...	lld:chembl
chemicalCompound:399361	chemicalCompound:synonym	synonym:399361_MK-0869_RESE...	lld:chembl
chemicalCompound:399361	chemicalCompound:synonym	synonym:399361_MK-869_RESEA...	lld:chembl
chemicalCompound:399361	chemicalCompound:standardIn...	InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1	lld:chembl
chemicalCompound:399361	chemicalCompound:standardIn...	ATALOFNDEOCMKK-OITMNORJSA-N	lld:chembl
chemicalCompound:399361	chemicalCompound:canonicalS...	C[C@@H](O[C@H]1OCCN(CC2=NNC(=O)N2)[C@H]1c3ccc(F)cc3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F	lld:chembl
chemicalCompound:399361	chemicalCompound:molecularF...	C23H21F7N4O3	lld:chembl
chemicalCompound:399361	chemicalCompound:moleculeId	399361	lld:chembl
chemicalCompound:399361	chemicalCompound:mwFreebase	534.427	lld:chembl
chemicalCompound:399361	chemicalCompound:alogp	4.635	lld:chembl
chemicalCompound:399361	chemicalCompound:hba	5	lld:chembl
chemicalCompound:399361	chemicalCompound:hbd	2	lld:chembl
chemicalCompound:399361	chemicalCompound:psa	75.19	lld:chembl
chemicalCompound:399361	chemicalCompound:rtb	8	lld:chembl
chemicalCompound:399361	chemicalCompound:ro3Pass	N	lld:chembl
chemicalCompound:399361	chemicalCompound:numRo5viol...	1	lld:chembl
chemicalCompound:399361	chemicalCompound:medChemFri...	Y	lld:chembl
chemicalCompound:399361	chemicalCompound:acdMostApk...	8.063	lld:chembl
chemicalCompound:399361	chemicalCompound:acdLogP	4.994	lld:chembl
chemicalCompound:399361	chemicalCompound:acdLogD	4.843	lld:chembl
chemicalCompound:399361	chemicalCompound:molecularS...	molecularSpecies:NEUTRAL	lld:chembl
chemicalCompound:399361	chemicalCompound:fullMwt	534.427	lld:chembl
chemicalCompound:399361	chemicalCompound:acdMostBpk...	4.376	lld:chembl
chemicalCompound:399361	chemicalCompound:chemblId	CHEMBL1471	lld:chembl
chemicalCompound:399361	chemicalCompound:maxPhase	4	lld:chembl
chemicalCompound:399361	chemicalCompound:therapeuti...	1	lld:chembl
chemicalCompound:399361	chemicalCompound:dosedIngre...	Yes	lld:chembl
chemicalCompound:399361	chemicalCompound:structureT...	structureType:MOL	lld:chembl
chemicalCompound:399361	chemicalCompound:chebi	https://linkedlifedata.com/...	lld:chembl
chemicalCompound:399361	chemicalCompound:moleculeTy...	moleculeType:Small molecule	lld:chembl
chemicalCompound:399361	chemicalCompound:oral	Yes	lld:chembl
chemicalCompound:399361	chemicalCompound:parenteral	No	lld:chembl
chemicalCompound:399361	chemicalCompound:topical	No	lld:chembl
chemicalCompound:399361	chemicalCompound:blackBoxWa...	No	lld:chembl
chemicalCompound:399361	chemicalCompound:naturalPro...	No	lld:chembl
chemicalCompound:399361	chemicalCompound:proDrug	No	lld:chembl
chemicalCompound:399361	chemicalCompound:prefName	APREPITANT	lld:chembl
chemicalCompound:399361	chemicalCompound:chebiParen...	https://linkedlifedata.com/...	lld:chembl
chemicalCompound:399361	chemicalCompound:firstAppro...	2003	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:178679	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:178680	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:178681	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:178682	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:178683	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:178684	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:178685	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:178686	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:178687	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:178688	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:178689	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:178690	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:178691	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:178692	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:178693	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:178694	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:178695	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:178696	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:178697	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:178698	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:178699	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:178700	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1178717	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254174	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254175	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254176	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254177	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254178	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254179	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254180	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254181	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254182	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254183	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254184	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254185	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254186	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254187	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254188	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254189	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254190	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254191	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254192	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254193	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254194	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254195	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254196	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254197	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254198	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254199	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254200	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254201	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254202	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254203	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254204	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254205	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254206	lld:chembl
chemicalCompound:399361	chemicalCompound:activity	activity:1254207	lld:chembl

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