1062498

Source:http://linkedlifedata.com/resource/chembl/compound/1062498

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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/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
chemicalCompound:standardIn...	SHVCSCWHWMSGTE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(O)nc(O)n1
chemicalCompound:molecularF...	C5H6N2O2
chemicalCompound:moleculeId	1062498
chemicalCompound:mwFreebase	126.113
chemicalCompound:alogp	0.909
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	66.24
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.653
chemicalCompound:acdLogP	-0.32
chemicalCompound:acdLogD	-3.756
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	126.113
chemicalCompound:acdMostBpk...	15.159
chemicalCompound:chemblId	CHEMBL1650614
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1162498
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:5193472, activity:5193499, activity:5193521, activity:5193565, activity:5193676, activity:5193770, activity:5194141, activity:5194148, activity:5194159