742944

Source:http://linkedlifedata.com/resource/chembl/compound/742944

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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/C13H11N5OS/c19-12(7-20-13-15-8-16-18-13)17-11-5-6-14-10-4-2-1-3-9(10)11/h1-6,8H,7H2,(H,14,17,19)(H,15,16,18)
chemicalCompound:standardIn...	ZJOBUHUHKNKLKI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(CSc1nc[nH]n1)Nc2ccnc3ccccc23
chemicalCompound:molecularF...	C13H11N5OS
chemicalCompound:moleculeId	742944
chemicalCompound:mwFreebase	285.324
chemicalCompound:alogp	1.475
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	108.86
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.354
chemicalCompound:acdLogP	1.432
chemicalCompound:acdLogD	1.417
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	285.324
chemicalCompound:acdMostBpk...	5.563
chemicalCompound:chemblId	CHEMBL1319060
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:842944
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:3736878, activity:4133079, activity:4803761, activity:5657183, activity:5681295, activity:5804657, activity:5879202, activity:6570308