607458

Source:http://linkedlifedata.com/resource/chembl/compound/607458

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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/C8H11N5O6S/c9-1-5-11-3-13(12-5)8-7(15)6(14)4(19-8)2-18-20(10,16)17/h3-4,6-8,14-15H,2H2,(H2,10,16,17)/t4-,6-,7-,8?/m1/s1
chemicalCompound:standardIn...	HBBAOIRLQWQUSR-ZRTZXPPTSA-N
chemicalCompound:canonicalS...	NS(=O)(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n2cnc(n2)C#N
chemicalCompound:molecularF...	C8H11N5O6S
chemicalCompound:moleculeId	607458
chemicalCompound:mwFreebase	305.268
chemicalCompound:alogp	-2.706
chemicalCompound:hba	9
chemicalCompound:hbd	3
chemicalCompound:psa	181.95
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.152
chemicalCompound:acdLogP	-1.426
chemicalCompound:acdLogD	-1.434
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	305.268
chemicalCompound:chemblId	CHEMBL610158
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:707458
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:899175, activity:899176, activity:899177, activity:899178, activity:899179