737910

Source:http://linkedlifedata.com/resource/chembl/compound/737910

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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/C12H8Cl2N4O2/c13-10-6-15-7-11(14)12(10)17-16-5-8-2-1-3-9(4-8)18(19)20/h1-7H,(H,15,17)/b16-5+
chemicalCompound:standardIn...	KCZZIYCUTXJROW-FZSIALSZSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1cccc(\C=N\Nc2c(Cl)cncc2Cl)c1
chemicalCompound:molecularF...	C12H8Cl2N4O2
chemicalCompound:moleculeId	737910
chemicalCompound:mwFreebase	311.124
chemicalCompound:alogp	3.521
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	83.1
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.385
chemicalCompound:acdLogP	4.084
chemicalCompound:acdLogD	4.073
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	311.124
chemicalCompound:acdMostBpk...	1.224
chemicalCompound:chemblId	CHEMBL1314026
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:837910
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:4419689