967

Source:http://linkedlifedata.com/resource/chembl/compound/967

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C13H16N4O/c1-18-10-2-3-11-12(8-10)15-9-13(16-11)17-6-4-14-5-7-17/h2-3,8-9,14H,4-7H2,1H3
chemicalCompound:standardIn...	UWXRANOLLRAIRP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc2nc(cnc2c1)N3CCNCC3
chemicalCompound:molecularF...	C13H16N4O
chemicalCompound:moleculeId	967
chemicalCompound:mwFreebase	244.292
chemicalCompound:alogp	1.4
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	50.28
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.161
chemicalCompound:acdLogD	0.25
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	244.292
chemicalCompound:acdMostBpk...	8.29
chemicalCompound:chemblId	CHEMBL6713
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100967
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No