1028313

Source:http://linkedlifedata.com/resource/chembl/compound/1028313

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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/C10H11NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)
chemicalCompound:standardIn...	DYRDKSSFIWVSNM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)CC(=O)Nc1ccccc1
chemicalCompound:molecularF...	C10H11NO2
chemicalCompound:moleculeId	1028313
chemicalCompound:mwFreebase	177.2
chemicalCompound:alogp	0.861
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	46.17
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.213
chemicalCompound:acdLogP	0.996
chemicalCompound:acdLogD	0.995
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	177.2
chemicalCompound:acdMostBpk...	0.391
chemicalCompound:chemblId	CHEMBL1604429
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1128313
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:4670684, activity:4980565, activity:5108408, activity:5108635, activity:5109979, activity:5111339, activity:6750496, activity:7048618