704999

Source:http://linkedlifedata.com/resource/chembl/compound/704999

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:170071
chemicalCompound:standardIn...	InChI=1S/C6H16N6.H2O4S/c7-5(8)11-3-1-2-4-12-6(9)10;1-5(2,3)4/h1-4H2,(H4,7,8,11)(H4,9,10,12);(H2,1,2,3,4)
chemicalCompound:standardIn...	RWTGFMPOODRXIM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=N)NCCCCNC(=N)N.OS(=O)(=O)O
chemicalCompound:molecularF...	C6H18N6O4S
chemicalCompound:moleculeId	704999
chemicalCompound:mwFreebase	172.231
chemicalCompound:alogp	-1.103
chemicalCompound:hba	2
chemicalCompound:hbd	6
chemicalCompound:psa	123.79
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-2.38
chemicalCompound:acdLogD	-5.38
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	270.31
chemicalCompound:acdMostBpk...	13.916
chemicalCompound:chemblId	CHEMBL1256017
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:804999
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:3490956, activity:4462701, activity:4970345, activity:5769974, activity:6841620, activity:7471375, activity:7604587, activity:7604588, activity:7604589, activity:7604590, activity:7604591, activity:7604592, activity:7604593, activity:7604594, activity:7604595, activity:7604596, activity:7604597, activity:7604598, activity:7604599, activity:7604600, activity:7604601, activity:7604602, activity:7604603, activity:7604604, activity:7604605, activity:7604606, activity:7604607, activity:7604608, activity:7604609, activity:7604610, activity:7604611, activity:7604612, activity:7604613, activity:7604614, activity:7604615, activity:7604616, activity:7604617, activity:7604618, activity:7604619, activity:7604620, activity:7604621, activity:7604622, activity:7604623, activity:7604624, activity:7604625, activity:7604626, activity:7604627, activity:7604628, activity:7604629, activity:7604630, activity:7604631, activity:7604632, activity:7604633, activity:7604634, activity:7604635, activity:7604636, activity:7604637, activity:7604638, activity:7604639, activity:7604640, activity:7604641, activity:7604642, activity:7604643, activity:7604644, activity:7604645, activity:7604646