107842

Source:http://linkedlifedata.com/resource/chembl/compound/107842

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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/C12H13NO6/c14-5-8(15)10-11(9(16)12(17)19-10)18-6-7-3-1-2-4-13-7/h1-4,8,10,14-16H,5-6H2
chemicalCompound:standardIn...	PGMXTYLENMMRHZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCC(O)C1OC(=O)C(=C1OCc2ccccn2)O
chemicalCompound:molecularF...	C12 H13 N O6
chemicalCompound:moleculeId	107842
chemicalCompound:mwFreebase	267.235
chemicalCompound:alogp	-0.835
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	109.11
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.073
chemicalCompound:acdLogP	-2.663
chemicalCompound:acdLogD	-2.672
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	267.235
chemicalCompound:acdMostBpk...	4.156
chemicalCompound:chemblId	CHEMBL71508
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:207842
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:1300131, activity:1300132, activity:1300133