943046

Source:http://linkedlifedata.com/resource/chembl/compound/943046

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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/C17H18N4O3S2/c1-10-6-12(3)16(7-11(10)2)26(23,24)21-13-4-5-14(22)15(8-13)25-17-18-9-19-20-17/h4-9,21-22H,1-3H3,(H,18,19,20)
chemicalCompound:standardIn...	FWYHHPLEYKOVAY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(C)c(cc1C)S(=O)(=O)Nc2ccc(O)c(Sc3nc[nH]n3)c2
chemicalCompound:molecularF...	C17H18N4O3S2
chemicalCompound:moleculeId	943046
chemicalCompound:mwFreebase	390.48
chemicalCompound:alogp	3.933
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	141.65
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.932
chemicalCompound:acdLogP	3.212
chemicalCompound:acdLogD	3.024
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	390.48
chemicalCompound:acdMostBpk...	1.137
chemicalCompound:chemblId	CHEMBL1519162
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1043046
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:4215477, activity:4597422, activity:4671702, activity:4894296, activity:5506832, activity:5651127, activity:5798259, activity:5970206, activity:6751340, activity:6932157