952155

Source:http://linkedlifedata.com/resource/chembl/compound/952155

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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/C16H18N2O5/c1-16(2,23)8-7-10-5-3-4-6-11(10)14(20)18-12(15(21)22)9-13(17)19/h3-6,12,23H,9H2,1-2H3,(H2,17,19)(H,18,20)(H,21,22)
chemicalCompound:standardIn...	UCTVHXMLHZLBKB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(O)C#Cc1ccccc1C(=O)NC(CC(=O)N)C(=O)O
chemicalCompound:molecularF...	C16H18N2O5
chemicalCompound:moleculeId	952155
chemicalCompound:mwFreebase	318.325
chemicalCompound:alogp	0.325
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	129.72
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.561
chemicalCompound:acdLogP	0.835
chemicalCompound:acdLogD	-2.739
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	318.325
chemicalCompound:chemblId	CHEMBL1528271
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1052155
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:4198384, activity:4292851, activity:6459179, activity:6997366, activity:7063704, activity:7550984