569397

Source:http://linkedlifedata.com/resource/chembl/compound/569397

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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/C14H15IN4O3S/c1-2-3-8-22-10-14-13(17-19-18-14)9-16-23(20,21)12-6-4-11(15)5-7-12/h1,4-7,16H,3,8-10H2,(H,17,18,19)
chemicalCompound:standardIn...	GXWYUSGBPVVVBD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Ic1ccc(cc1)S(=O)(=O)NCc2[nH]nnc2COCCC#C
chemicalCompound:molecularF...	C14H15IN4O3S
chemicalCompound:moleculeId	569397
chemicalCompound:mwFreebase	446.263
chemicalCompound:alogp	2.489
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	105.35
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.83
chemicalCompound:acdLogP	0.95
chemicalCompound:acdLogD	0.512
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	446.263
chemicalCompound:acdMostBpk...	0.204
chemicalCompound:chemblId	CHEMBL578035
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:669397
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:2912552, activity:2912558, activity:2912563, activity:2912567, activity:2912571, activity:2912575, activity:2912579, activity:2912584, activity:2912587, activity:2912594, activity:2912602, activity:2912606, activity:2912609, activity:2912613