484

Source:http://linkedlifedata.com/resource/chembl/compound/484

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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/C9H11N3O7/c13-4-6-5(19-12(16)17)3-8(18-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,13H,3-4H2,(H,10,14,15)
chemicalCompound:standardIn...	FWHIZMZQPHLUAG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCC1OC(CC1O[N+](=O)[O-])N2C=CC(=O)NC2=O
chemicalCompound:molecularF...	C9 H11 N3 O7
chemicalCompound:moleculeId	484
chemicalCompound:mwFreebase	273.2
chemicalCompound:alogp	0.726
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	133.91
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.395
chemicalCompound:acdLogP	-0.023
chemicalCompound:acdLogD	-0.028
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	273.2
chemicalCompound:chemblId	CHEMBL428844
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100484
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:151525, activity:151526, activity:151527, activity:151528, activity:151529, activity:151530, activity:151531, activity:151532, activity:151533, activity:151534, activity:151535