229034

Source:http://linkedlifedata.com/resource/chembl/compound/229034

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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/C13H10N2O3/c16-11-6-9-5-8-3-1-2-4-10(8)13(9)14-15(11)7-12(17)18/h1-4,6H,5,7H2,(H,17,18)
chemicalCompound:standardIn...	WUBNQDDDKTUJJR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)CN1N=C2C(=CC1=O)Cc3ccccc23
chemicalCompound:molecularF...	C13 H10 N2 O3
chemicalCompound:moleculeId	229034
chemicalCompound:mwFreebase	242.23
chemicalCompound:alogp	1.239
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	69.97
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.6
chemicalCompound:acdLogP	0.513
chemicalCompound:acdLogD	-2.78
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	242.23
chemicalCompound:chemblId	CHEMBL433688
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:329034
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:280486, activity:280487, activity:280488, activity:280489