74

Source:http://linkedlifedata.com/resource/chembl/compound/74

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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/C14H9N3O3S/c18-12-8-15-17(14(20)16-12)10-5-3-9(4-6-10)13(19)11-2-1-7-21-11/h1-8H,(H,16,18,20)
chemicalCompound:standardIn...	RJEKIHQABSVVMV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(c1ccc(cc1)N2N=CC(=O)NC2=O)c3cccs3
chemicalCompound:molecularF...	C14 H9 N3 O3 S
chemicalCompound:moleculeId	74
chemicalCompound:mwFreebase	299.305
chemicalCompound:alogp	2.147
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	107.07
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.103
chemicalCompound:acdLogP	2.119
chemicalCompound:acdLogD	0.879
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	299.305
chemicalCompound:chemblId	CHEMBL415286
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100074
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:187951