167500

Source:http://linkedlifedata.com/resource/chembl/compound/167500

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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/C9H12N2O9/c12-5(13)1-3(7(16)17)10-9(20)11-4(8(18)19)2-6(14)15/h3-4H,1-2H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)(H2,10,11,20)/t3-,4-/m0/s1
chemicalCompound:standardIn...	XCABUIRBMDMXAE-IMJSIDKUSA-N
chemicalCompound:canonicalS...	OC(=O)C[C@H](NC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O
chemicalCompound:molecularF...	C9 H12 N2 O9
chemicalCompound:moleculeId	167500
chemicalCompound:mwFreebase	292.2
chemicalCompound:alogp	-1.938
chemicalCompound:hba	9
chemicalCompound:hbd	6
chemicalCompound:psa	190.32
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.314
chemicalCompound:acdLogP	-2.206
chemicalCompound:acdLogD	-8.917
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	292.2
chemicalCompound:chemblId	CHEMBL102566
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:267500
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:405914