1169755

Source:http://linkedlifedata.com/resource/chembl/compound/1169755

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1193533
chemicalCompound:standardIn...	InChI=1S/C15H17NO5.Na/c1-9(15(18)19)12-6-5-10(8-13(12)16(20)21)7-11-3-2-4-14(11)17;/h5-6,8-9,11H,2-4,7H2,1H3,(H,18,19);/q;+1/p-1
chemicalCompound:standardIn...	OZUFPJMEXZUUIF-UHFFFAOYSA-M
chemicalCompound:canonicalS...	[Na+].CC(C(=O)[O-])c1ccc(CC2CCCC2=O)cc1[N+](=O)[O-]
chemicalCompound:molecularF...	C15H16NNaO5
chemicalCompound:moleculeId	1169755
chemicalCompound:mwFreebase	291.299
chemicalCompound:alogp	2.83
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	100.19
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.053
chemicalCompound:acdLogP	1.941
chemicalCompound:acdLogD	-1.262
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	313.281
chemicalCompound:chemblId	CHEMBL1814709
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1269755
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:6310153, activity:6310159, activity:6310165, activity:6310171