297729

Source:http://linkedlifedata.com/resource/chembl/compound/297729

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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/C11H7FN4S/c12-7-1-3-8(4-2-7)17-11-9-10(14-5-13-9)15-6-16-11/h1-6H,(H,13,14,15,16)
chemicalCompound:standardIn...	MTSKQGGVBOTGLP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(Sc2ncnc3[nH]cnc23)cc1
chemicalCompound:molecularF...	C11H7FN4S
chemicalCompound:moleculeId	297729
chemicalCompound:mwFreebase	246.263
chemicalCompound:alogp	2.628
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	79.76
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.632
chemicalCompound:acdLogP	1.351
chemicalCompound:acdLogD	1.326
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	246.263
chemicalCompound:acdMostBpk...	1.643
chemicalCompound:chemblId	CHEMBL175603
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:397729
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:1406898, activity:1406899, activity:1406900, activity:1406901, activity:1406902, activity:1406903, activity:1406904, activity:1406905, activity:1406906, activity:1406907, activity:1406908, activity:1406909, activity:1406910, activity:1406911, activity:1406912, activity:2506025