213078

Source:http://linkedlifedata.com/resource/chembl/compound/213078

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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/C16H13ClN4O2S2/c17-11-6-7-14(13(24)9-11)25(22,23)20-16-19-18-15-8-5-10-3-1-2-4-12(10)21(15)16/h1-4,6-7,9,24H,5,8H2,(H,19,20)
chemicalCompound:standardIn...	UTJWPBZLYLTSNN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Sc1cc(Cl)ccc1S(=O)(=O)Nc2nnc3CCc4ccccc4n23
chemicalCompound:molecularF...	C16 H13 Cl N4 O2 S2
chemicalCompound:moleculeId	213078
chemicalCompound:mwFreebase	392.883
chemicalCompound:alogp	3.616
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	124.05
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.401
chemicalCompound:acdLogP	3.968
chemicalCompound:acdLogD	0.653
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	392.883
chemicalCompound:acdMostBpk...	0.89
chemicalCompound:chemblId	CHEMBL128487
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:313078
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:899138, activity:899139