1088716

Source:http://linkedlifedata.com/resource/chembl/compound/1088716

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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/C16H13ClN2O3/c17-11-5-1-4-8-14(11)22-10-16(21)19-9-15(20)18-12-6-2-3-7-13(12)19/h1-8H,9-10H2,(H,18,20)
chemicalCompound:standardIn...	BLWZTRGZPZOPMT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccccc1OCC(=O)N2CC(=O)Nc3ccccc23
chemicalCompound:molecularF...	C16H13ClN2O3
chemicalCompound:moleculeId	1088716
chemicalCompound:mwFreebase	316.739
chemicalCompound:alogp	2.126
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	58.64
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.677
chemicalCompound:acdLogP	3.357
chemicalCompound:acdLogD	3.357
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	316.739
chemicalCompound:acdMostBpk...	1.108
chemicalCompound:chemblId	CHEMBL1707985
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1188716
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:5681310, activity:5879215, activity:6472089, activity:6512588, activity:7129135