577318

Source:http://linkedlifedata.com/resource/chembl/compound/577318

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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/C10H9NO2/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5H,6,11H2
chemicalCompound:standardIn...	MXXNUQUOHJMQEU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NCc1ccc2OC(=O)C=Cc2c1
chemicalCompound:molecularF...	C10H9NO2
chemicalCompound:moleculeId	577318
chemicalCompound:mwFreebase	175.184
chemicalCompound:alogp	1.005
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	52.32
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.615
chemicalCompound:acdLogD	-1.061
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	175.184
chemicalCompound:acdMostBpk...	9.084
chemicalCompound:chemblId	CHEMBL567139
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:677318
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:2978930, activity:2978951, activity:2978972, activity:2978993, activity:2997066, activity:2997087, activity:2997108, activity:2997129, activity:2997150, activity:2997171, activity:2997192, activity:2997213, activity:2997233