674908

Source:http://linkedlifedata.com/resource/chembl/compound/674908

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:19712
chemicalCompound:synonym	synonym:674908_AL-3432A_RESEARCH_CODE, synonym:674908_Emedastine Difumarate_JAN, synonym:674908_Emedastine Difumarate_USAN, synonym:674908_Emedastine_BAN, synonym:674908_Emedastine_INN
chemicalCompound:standardIn...	InChI=1S/C17H26N4O.C4H4O4/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20;5-3(6)1-2-4(7)8/h4-5,7-8H,3,6,9-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
chemicalCompound:standardIn...	FGFODSDYSQTNOS-WLHGVMLRSA-N
chemicalCompound:canonicalS...	CCOCCn1c(nc2ccccc12)N3CCCN(C)CC3.OC(=O)\C=C\C(=O)O
chemicalCompound:molecularF...	C21H30N4O5
chemicalCompound:moleculeId	674908
chemicalCompound:mwFreebase	302.415
chemicalCompound:alogp	1.872
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	33.53
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.783
chemicalCompound:acdLogD	1.326
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	418.487
chemicalCompound:acdMostBpk...	8.857
chemicalCompound:chemblId	CHEMBL1200957
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774908
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	EMEDASTINE DIFUMARATE
chemicalCompound:firstAppro...	1993