167457

Source:http://linkedlifedata.com/resource/chembl/compound/167457

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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/C11H16N2O9/c14-7(15)3-1-5(9(18)19)12-11(22)13-6(10(20)21)2-4-8(16)17/h5-6H,1-4H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H2,12,13,22)/t5-,6+
chemicalCompound:standardIn...	SOAPXKSPJAZNGO-OLQVQODUSA-N
chemicalCompound:canonicalS...	OC(=O)CC[C@H](NC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O
chemicalCompound:molecularF...	C11 H16 N2 O9
chemicalCompound:moleculeId	167457
chemicalCompound:mwFreebase	320.253
chemicalCompound:alogp	-1.295
chemicalCompound:hba	9
chemicalCompound:hbd	6
chemicalCompound:psa	190.32
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.441
chemicalCompound:acdLogP	-1.94
chemicalCompound:acdLogD	-8.662
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	320.253
chemicalCompound:chemblId	CHEMBL431825
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:267457
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:425703