90775

Source:http://linkedlifedata.com/resource/chembl/compound/90775

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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/C9H10ClN5O2S/c10-7-6-8(14-9(11)13-7)15(3-12-6)4-2-18-5(1-16)17-4/h3-5,16H,1-2H2,(H2,11,13,14)/t4-,5+/m0/s1
chemicalCompound:standardIn...	ZQYFBYPPSPKXNN-CRCLSJGQSA-N
chemicalCompound:canonicalS...	Nc1nc(Cl)c2ncn([C@@H]3CS[C@H](CO)O3)c2n1
chemicalCompound:molecularF...	C9 H10 Cl N5 O2 S
chemicalCompound:moleculeId	90775
chemicalCompound:mwFreebase	287.726
chemicalCompound:alogp	0.781
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	124.38
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.827
chemicalCompound:acdLogP	1.483
chemicalCompound:acdLogD	1.483
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	287.726
chemicalCompound:acdMostBpk...	1.473
chemicalCompound:chemblId	CHEMBL293575
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:190775
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:1150044, activity:1150045, activity:1150046