105659

Source:http://linkedlifedata.com/resource/chembl/compound/105659

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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/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11)
chemicalCompound:standardIn...	GYLKKXHEIIFTJH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)c1cccc(c1)C#N
chemicalCompound:molecularF...	C8 H5 N O2
chemicalCompound:moleculeId	105659
chemicalCompound:mwFreebase	147.131
chemicalCompound:alogp	1.338
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	61.09
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.642
chemicalCompound:acdLogP	1.47
chemicalCompound:acdLogD	-1.584
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	147.131
chemicalCompound:chemblId	CHEMBL66210
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:205659
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:57110, activity:264745, activity:264746, activity:264747, activity:328635, activity:965153