674442

Source:http://linkedlifedata.com/resource/chembl/compound/674442

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:152610
chemicalCompound:synonym	synonym:674442_Epinastine Hydrochloride_JAN, synonym:674442_Epinastine Hydrochloride_USAN, synonym:674442_Epinastine_INN
chemicalCompound:standardIn...	InChI=1S/C16H15N3.ClH/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16;/h1-8,15H,9-10H2,(H2,17,18);1H
chemicalCompound:standardIn...	VKXSGUIOOQPGAF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.NC1=NCC2N1c3ccccc3Cc4ccccc24
chemicalCompound:molecularF...	C16H16ClN3
chemicalCompound:moleculeId	674442
chemicalCompound:mwFreebase	249.31
chemicalCompound:alogp	2.782
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	41.62
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.51
chemicalCompound:acdLogD	1.545
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	285.771
chemicalCompound:acdMostBpk...	11.977
chemicalCompound:chemblId	CHEMBL1200491
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774442
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	Yes
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	EPINASTINE HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:51037
chemicalCompound:firstAppro...	2003