588

Source:http://linkedlifedata.com/resource/chembl/compound/588

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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/C9H11IN4O6/c10-4-2-13(9(16)12-8(4)11)7-1-5(20-14(17)18)6(3-15)19-7/h2,5-7,15H,1,3H2,(H2,11,12,16)
chemicalCompound:standardIn...	HRDXGNISVLWZCO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC1=NC(=O)N(C=C1I)C2CC(O[N+](=O)[O-])C(CO)O2
chemicalCompound:molecularF...	C9 H11 I N4 O6
chemicalCompound:moleculeId	588
chemicalCompound:mwFreebase	398.111
chemicalCompound:alogp	1.063
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	143.2
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	-0.333
chemicalCompound:acdLogD	-0.333
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	398.111
chemicalCompound:acdMostBpk...	2.617
chemicalCompound:chemblId	CHEMBL6434
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100588
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:158806, activity:158807, activity:158808, activity:158809, activity:158810, activity:158811, activity:158812, activity:158813, activity:158814