741221

Source:http://linkedlifedata.com/resource/chembl/compound/741221

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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/C9H8ClN5OS2/c10-7-5(2-1-3-12-7)13-6(16)4-17-9-15-14-8(11)18-9/h1-3H,4H2,(H2,11,14)(H,13,16)
chemicalCompound:standardIn...	MHZDLDYYQDMSPF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nnc(SCC(=O)Nc2cccnc2Cl)s1
chemicalCompound:molecularF...	C9H8ClN5OS2
chemicalCompound:moleculeId	741221
chemicalCompound:mwFreebase	301.776
chemicalCompound:alogp	1
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	147.33
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.936
chemicalCompound:acdLogP	1.593
chemicalCompound:acdLogD	1.593
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	301.776
chemicalCompound:acdMostBpk...	2.254
chemicalCompound:chemblId	CHEMBL1317337
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:841221
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:4671790, activity:6668393, activity:6784023, activity:7479362