619094

Source:http://linkedlifedata.com/resource/chembl/compound/619094

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C15H18N2O3/c1-3-9-20-11-14(17-12(2)18)15(19)16-10-13-7-5-4-6-8-13/h1,4-8,14H,9-11H2,2H3,(H,16,19)(H,17,18)/t14-/m1/s1
chemicalCompound:standardIn...	XJHGHHZJVROODQ-CQSZACIVSA-N
chemicalCompound:canonicalS...	CC(=O)N[C@H](COCC#C)C(=O)NCc1ccccc1
chemicalCompound:molecularF...	C15H18N2O3
chemicalCompound:moleculeId	619094
chemicalCompound:mwFreebase	274.315
chemicalCompound:alogp	1.213
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	67.43
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.221
chemicalCompound:acdLogD	1.221
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	274.315
chemicalCompound:chemblId	CHEMBL1089414
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:719094
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:3256257, activity:3256277, activity:3256297, activity:3256315, activity:3256319, activity:3256330, activity:3256333, activity:3256344, activity:3256353, activity:3256360, activity:3256390, activity:3256409, activity:3256438, activity:3401419, activity:3401440, activity:3401451, activity:3401483, activity:3401504, activity:3401521