1053182

Source:http://linkedlifedata.com/resource/chembl/compound/1053182

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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/C17H18N10S2/c18-26-14(12-4-1-6-20-10-12)22-24-16(26)28-8-3-9-29-17-25-23-15(27(17)19)13-5-2-7-21-11-13/h1-2,4-7,10-11H,3,8-9,18-19H2
chemicalCompound:standardIn...	YIJUZSZYQZDSET-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nn1c(SCCCSc2nnc(c3cccnc3)n2N)nnc1c4cccnc4
chemicalCompound:molecularF...	C17H18N10S2
chemicalCompound:moleculeId	1053182
chemicalCompound:mwFreebase	426.522
chemicalCompound:alogp	1
chemicalCompound:hba	10
chemicalCompound:hbd	2
chemicalCompound:psa	189.84
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.122
chemicalCompound:acdLogD	3.122
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	426.522
chemicalCompound:acdMostBpk...	2.759
chemicalCompound:chemblId	CHEMBL1630866
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1153182
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:5104020, activity:5104021, activity:5104022, activity:5104023, activity:5104024, activity:5104025, activity:5104026, activity:5104027, activity:5104028, activity:5104029, activity:5104030, activity:5104031, activity:5104032, activity:5104033, activity:5104034, activity:5104035, activity:5104036, activity:5104037, activity:5104038, activity:5104039, activity:5104210, activity:5104211, activity:5104212, activity:5104213