48453

Source:http://linkedlifedata.com/resource/chembl/compound/48453

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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/C18H13ClN2O3/c1-11-16(10-12-2-8-15(22)9-3-12)18(24)21(20-11)17(23)13-4-6-14(19)7-5-13/h2-10,22H,1H3/b16-10-
chemicalCompound:standardIn...	KHDVRSANQYOYDA-YBEGLDIGSA-N
chemicalCompound:canonicalS...	CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)/C/1=C\c3ccc(O)cc3
chemicalCompound:molecularF...	C18 H13 Cl N2 O3
chemicalCompound:moleculeId	48453
chemicalCompound:mwFreebase	340.76
chemicalCompound:alogp	3.328
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	69.97
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.937
chemicalCompound:acdLogP	2.674
chemicalCompound:acdLogD	2.662
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	340.76
chemicalCompound:chemblId	CHEMBL441600
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:148453
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PYROGLUTAMIC ACID
chemicalCompound:activity	activity:967239