328210

Source:http://linkedlifedata.com/resource/chembl/compound/328210

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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/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)
chemicalCompound:standardIn...	SMYMJHWAQXWPDB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)COc1cc(Cl)c(Cl)cc1Cl
chemicalCompound:molecularF...	C8 H5 Cl3 O3
chemicalCompound:moleculeId	328210
chemicalCompound:mwFreebase	255.482
chemicalCompound:alogp	3.288
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	46.53
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.879
chemicalCompound:acdLogP	3.1
chemicalCompound:acdLogD	-0.582
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	255.482
chemicalCompound:chemblId	CHEMBL194458
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:428210
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:27903
chemicalCompound:activity	activity:1605740, activity:3775321, activity:4609449, activity:6958543, activity:7022404, activity:7224203