580933

Source:http://linkedlifedata.com/resource/chembl/compound/580933

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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/C17H17N5/c1-2-22-12-19-15-16(18)20-14(21-17(15)22)11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9,12H,2,6,10H2,1H3,(H2,18,20,21)
chemicalCompound:standardIn...	AZGVUTMKZRGBFJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCn1cnc2c(N)nc(nc12)C#CCCc3ccccc3
chemicalCompound:molecularF...	C17H17N5
chemicalCompound:moleculeId	580933
chemicalCompound:mwFreebase	291.35
chemicalCompound:alogp	3.235
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	69.62
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.595
chemicalCompound:acdLogD	2.595
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	291.35
chemicalCompound:acdMostBpk...	2.973
chemicalCompound:chemblId	CHEMBL578786
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:680933
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:3009306