872045

Source:http://linkedlifedata.com/resource/chembl/compound/872045

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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/C12H13Cl2N3O4/c13-8-2-1-7(3-9(8)14)16-17-10-11(20)21-6-12(4-18,5-19)15-10/h1-3,16,18-19H,4-6H2,(H,15,17)
chemicalCompound:standardIn...	KTDHGAPILAJTTD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCC1(CO)COC(=O)C(=N1)NNc2ccc(Cl)c(Cl)c2
chemicalCompound:molecularF...	C12H13Cl2N3O4
chemicalCompound:moleculeId	872045
chemicalCompound:mwFreebase	334.155
chemicalCompound:alogp	1.187
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	103.18
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.492
chemicalCompound:acdLogD	1.492
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	334.155
chemicalCompound:acdMostBpk...	3.51
chemicalCompound:chemblId	CHEMBL1448161
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:972045
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:4126706, activity:4302563, activity:4360021, activity:4431981, activity:4531991, activity:4678571, activity:4686483, activity:4703887, activity:4910094, activity:4988725, activity:5019819, activity:5543785, activity:5587772, activity:5699222, activity:5866389, activity:5876555, activity:5997431, activity:6027563, activity:6030869, activity:6043155, activity:6050209, activity:6569995, activity:6574331, activity:6756213, activity:7025302, activity:7143427, activity:7395887, activity:7450166, activity:7476113, activity:7546398