674328

Source:http://linkedlifedata.com/resource/chembl/compound/674328

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:543
chemicalCompound:synonym	synonym:674328_Amphetamine aspartate_OTHER
chemicalCompound:standardIn...	InChI=1S/C9H13N.C4H7NO4/c1-8(10)7-9-5-3-2-4-6-9;5-2(4(8)9)1-3(6)7/h2-6,8H,7,10H2,1H3;2H,1,5H2,(H,6,7)(H,8,9)
chemicalCompound:standardIn...	DYOBNLAYPQSBLB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(N)Cc1ccccc1.NC(CC(=O)O)C(=O)O
chemicalCompound:molecularF...	C13H20N2O4
chemicalCompound:moleculeId	674328
chemicalCompound:mwFreebase	135.206
chemicalCompound:alogp	1.634
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	26.02
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.789
chemicalCompound:acdLogD	-0.648
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	268.309
chemicalCompound:acdMostBpk...	9.942
chemicalCompound:chemblId	CHEMBL1200377
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774328
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	AMPHETAMINE ASPARTATE
chemicalCompound:firstAppro...	1996