643588

Source:http://linkedlifedata.com/resource/chembl/compound/643588

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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/C12H16N6O7S/c1-5(19)17-26(22,23)24-2-6-8(20)9(21)12(25-6)18-4-16-7-10(13)14-3-15-11(7)18/h3-4,6,8-9,12,20-21H,2H2,1H3,(H,17,19)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
chemicalCompound:standardIn...	SKYBLZMECJREBK-WOUKDFQISA-N
chemicalCompound:canonicalS...	CC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
chemicalCompound:molecularF...	C12H16N6O7S
chemicalCompound:moleculeId	643588
chemicalCompound:mwFreebase	388.356
chemicalCompound:alogp	-2.728
chemicalCompound:hba	11
chemicalCompound:hbd	4
chemicalCompound:psa	200.16
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.79
chemicalCompound:acdLogP	-1.283
chemicalCompound:acdLogD	-3.282
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	388.356
chemicalCompound:acdMostBpk...	3.823
chemicalCompound:chemblId	CHEMBL1162049
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:743588
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:2003204, activity:2003234, activity:2003264