486404

Source:http://linkedlifedata.com/resource/chembl/compound/486404

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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/C12H8N2O3/c15-12(16)9-4-10-11(14-9)8(6-17-10)7-2-1-3-13-5-7/h1-6,14H,(H,15,16)
chemicalCompound:standardIn...	BEQMEFJYIFFXFO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)c1cc2occ(c3cccnc3)c2[nH]1
chemicalCompound:molecularF...	C12H8N2O3
chemicalCompound:moleculeId	486404
chemicalCompound:mwFreebase	228.204
chemicalCompound:alogp	1.807
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	79.11
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.022
chemicalCompound:acdLogP	0.688
chemicalCompound:acdLogD	-2.244
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	228.204
chemicalCompound:acdMostBpk...	4.949
chemicalCompound:chemblId	CHEMBL493624
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:586404
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:2338136