581041

Source:http://linkedlifedata.com/resource/chembl/compound/581041

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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/C15H17N5/c1-2-20-11-19-13-14(17-10-18-15(13)20)16-9-8-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,16,17,18)
chemicalCompound:standardIn...	LIFFPGJHSZVSCL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCn1cnc2c(NCCc3ccccc3)ncnc12
chemicalCompound:molecularF...	C15H17N5
chemicalCompound:moleculeId	581041
chemicalCompound:mwFreebase	267.329
chemicalCompound:alogp	2.573
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	55.63
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.577
chemicalCompound:acdLogD	2.577
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	267.329
chemicalCompound:acdMostBpk...	3.783
chemicalCompound:chemblId	CHEMBL567012
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:681041
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:3010389, activity:3010418