592

Source:http://linkedlifedata.com/resource/chembl/compound/592

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:592_Tenamfetamine_OTHER
chemicalCompound:standardIn...	InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3
chemicalCompound:standardIn...	NGBBVGZWCFBOGO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(N)Cc1ccc2OCOc2c1
chemicalCompound:molecularF...	C10H13NO2
chemicalCompound:moleculeId	592
chemicalCompound:mwFreebase	179.216
chemicalCompound:alogp	1.402
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	44.48
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.637
chemicalCompound:acdLogD	-0.8
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	179.216
chemicalCompound:acdMostBpk...	9.942
chemicalCompound:chemblId	CHEMBL6731
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100592
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	METHYLENEDIOXYAMPHETAMINE
chemicalCompound:activity	activity:112461, activity:112462, activity:112463, activity:112464, activity:112465, activity:112466, activity:112467, activity:262312, activity:319091, activity:319092, activity:319093, activity:555446, activity:555447, activity:555448, activity:567175, activity:567176, activity:567177, activity:726810, activity:726811, activity:726812, activity:1111578, activity:1111579, activity:1111580, activity:1111581, activity:1111582, activity:1111583, activity:1113881, activity:1113882, activity:1113883, activity:1113884, activity:1113885, activity:1224367, activity:3216573, activity:3217689, activity:3217707, activity:3217725, activity:3217743, activity:3217877, activity:3217882, activity:3217883, activity:3343987, activity:3344015, activity:3344031, activity:3344047, activity:3344077, activity:3344078, activity:3344079, activity:5219264, activity:5232035, activity:5232063, activity:5232081, activity:5232088