483957

Source:http://linkedlifedata.com/resource/chembl/compound/483957

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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/C12H11NO3/c1-13(2)10-6-11(15)9-5-7(14)3-4-8(9)12(10)16/h3-6,14H,1-2H3
chemicalCompound:standardIn...	UEHJBAZTCWDZJP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)C1=CC(=O)c2cc(O)ccc2C1=O
chemicalCompound:molecularF...	C12H11NO3
chemicalCompound:moleculeId	483957
chemicalCompound:mwFreebase	217.221
chemicalCompound:alogp	1.286
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	57.61
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	7.05
chemicalCompound:acdLogP	1.438
chemicalCompound:acdLogD	0.934
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	217.221
chemicalCompound:acdMostBpk...	2.107
chemicalCompound:chemblId	CHEMBL449935
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:583957
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:2434230, activity:2434281, activity:2434332, activity:2434446, activity:2434470, activity:2434521, activity:2435579, activity:2435630