131885

Source:http://linkedlifedata.com/resource/chembl/compound/131885

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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/C13H14Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5,7H,3,6H2,1-2H3,(H,16,17)
chemicalCompound:standardIn...	MBIDVLCHMJNEAM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(C)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl
chemicalCompound:molecularF...	C13H14Cl2O4
chemicalCompound:moleculeId	131885
chemicalCompound:mwFreebase	305.154
chemicalCompound:alogp	3.949
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	63.6
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.812
chemicalCompound:acdLogP	3.325
chemicalCompound:acdLogD	-0.366
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	305.154
chemicalCompound:chemblId	CHEMBL84189
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:231885
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:406453, activity:406454, activity:406455, activity:406456, activity:406457, activity:406458, activity:696680, activity:696681, activity:696682, activity:2492451, activity:2492493