568928

Source:http://linkedlifedata.com/resource/chembl/compound/568928

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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/C13H13N3/c1-3-7-12(8-4-1)11-14-16-15-13-9-5-2-6-10-13/h1-10H,11H2,(H,14,15)
chemicalCompound:standardIn...	NNNDCDLZJSSHSZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C(NN=Nc1ccccc1)c2ccccc2
chemicalCompound:molecularF...	C13H13N3
chemicalCompound:moleculeId	568928
chemicalCompound:mwFreebase	211.262
chemicalCompound:alogp	3.591
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	36.75
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.972
chemicalCompound:acdLogD	2.972
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	211.262
chemicalCompound:acdMostBpk...	2.809
chemicalCompound:chemblId	CHEMBL575656
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:668928
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:2913488, activity:2913534, activity:2913592, activity:2913650, activity:2913708, activity:2913766, activity:2914196, activity:2914254, activity:2914287, activity:2914345, activity:2914403, activity:2914485, activity:2914505, activity:2914526, activity:2914547