101325

Source:http://linkedlifedata.com/resource/chembl/compound/101325

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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/C8H11N4O4PS/c13-17(14,15)5-16-2-1-12-4-11-6-7(12)9-3-10-8(6)18/h3-4H,1-2,5H2,(H,9,10,18)(H2,13,14,15)
chemicalCompound:standardIn...	RJIMMKMUBBUJKI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OP(=O)(O)COCCn1cnc2c(S)ncnc12
chemicalCompound:molecularF...	C8 H11 N4 O4 P S
chemicalCompound:moleculeId	101325
chemicalCompound:mwFreebase	290.236
chemicalCompound:alogp	-0.043
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	158.97
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-1.595
chemicalCompound:acdLogP	-0.591
chemicalCompound:acdLogD	-4.796
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	290.236
chemicalCompound:acdMostBpk...	8.97
chemicalCompound:chemblId	CHEMBL64016
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:201325
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:520347, activity:520348, activity:520349, activity:520350, activity:520351, activity:520352, activity:520353, activity:520354, activity:520355, activity:520356, activity:520357, activity:520358, activity:520359, activity:520360, activity:520361, activity:520362, activity:520363, activity:520364