568938

Source:http://linkedlifedata.com/resource/chembl/compound/568938

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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/C13H18N4O2/c1-2-19-13(18)16-8-10-17(11-9-16)15-14-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3/b15-14+
chemicalCompound:standardIn...	YZFBHSMXHPBSAM-CCEZHUSRSA-N
chemicalCompound:canonicalS...	CCOC(=O)N1CCN(CC1)N=Nc2ccccc2
chemicalCompound:molecularF...	C13H18N4O2
chemicalCompound:moleculeId	568938
chemicalCompound:mwFreebase	262.308
chemicalCompound:alogp	2.422
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	57.5
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.943
chemicalCompound:acdLogD	2.943
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	262.308
chemicalCompound:acdMostBpk...	0.449
chemicalCompound:chemblId	CHEMBL573371
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:668938
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:2913449, activity:2913495, activity:2913553, activity:2913611, activity:2913669, activity:2913727, activity:2913785, activity:2914215, activity:2914306, activity:2914362, activity:2914968, activity:2914993, activity:2915018