16509

Source:http://linkedlifedata.com/resource/chembl/compound/16509

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:16509_Diuron_OTHER
chemicalCompound:standardIn...	InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
chemicalCompound:standardIn...	XMTQQYYKAHVGBJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
chemicalCompound:molecularF...	C9H10Cl2N2O
chemicalCompound:moleculeId	16509
chemicalCompound:mwFreebase	233.094
chemicalCompound:alogp	2.48
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	32.34
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.545
chemicalCompound:acdLogP	2.678
chemicalCompound:acdLogD	2.678
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	233.094
chemicalCompound:chemblId	CHEMBL278489
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:116509
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	DCMU
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:116509
chemicalCompound:activity	activity:279054, activity:1899152, activity:1899153, activity:1935835, activity:1935846, activity:2179228, activity:2217714, activity:2217728, activity:2258251, activity:2258252, activity:2440163, activity:2560906, activity:3539264, activity:3539308, activity:3539374, activity:3539440, activity:3799118, activity:4872312, activity:6528073, activity:7118312