17489

Source:http://linkedlifedata.com/resource/chembl/compound/17489

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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/C10H9NO3/c12-9-5-7-3-1-2-4-8(7)6-10(13)11(9)14/h1-4,14H,5-6H2
chemicalCompound:standardIn...	DQAXPTQNKZMKAH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	ON1C(=O)Cc2ccccc2CC1=O
chemicalCompound:molecularF...	C10H9NO3
chemicalCompound:moleculeId	17489
chemicalCompound:mwFreebase	191.183
chemicalCompound:alogp	0.738
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	57.61
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.749
chemicalCompound:acdLogP	-0.775
chemicalCompound:acdLogD	-0.936
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	191.183
chemicalCompound:chemblId	CHEMBL16444
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:117489
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:187432, activity:2601924