17453

Source:http://linkedlifedata.com/resource/chembl/compound/17453

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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/C9H7NO3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-4,13H,5H2
chemicalCompound:standardIn...	ZXAICCBFIBBVAR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	ON1C(=O)Cc2ccccc2C1=O
chemicalCompound:molecularF...	C9H7NO3
chemicalCompound:moleculeId	17453
chemicalCompound:mwFreebase	177.157
chemicalCompound:alogp	0.703
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	57.61
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.651
chemicalCompound:acdLogP	-0.143
chemicalCompound:acdLogD	-0.337
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	177.157
chemicalCompound:chemblId	CHEMBL16755
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:117453
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:197884, activity:2595592, activity:2595613, activity:2595631, activity:2595699, activity:2595700, activity:2595706, activity:2595721, activity:2602340, activity:2701346, activity:2701347, activity:3525604