5400

Source:http://linkedlifedata.com/resource/chembl/compound/5400

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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/C9H8Cl2O3/c10-7-2-1-6(3-8(7)11)4-14-5-9(12)13/h1-3H,4-5H2,(H,12,13)
chemicalCompound:standardIn...	MWZJIYRBTKZIPI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)COCc1ccc(Cl)c(Cl)c1
chemicalCompound:molecularF...	C9 H8 Cl2 O3
chemicalCompound:moleculeId	5400
chemicalCompound:mwFreebase	235.064
chemicalCompound:alogp	2.444
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	46.53
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.288
chemicalCompound:acdLogP	2.277
chemicalCompound:acdLogD	-1.316
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	235.064
chemicalCompound:chemblId	CHEMBL267485
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:105400
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:60373, activity:60374, activity:60375, activity:60376, activity:60377, activity:60378, activity:759894, activity:759895, activity:759896, activity:759897, activity:759898, activity:759899, activity:759900, activity:759901