1042

Source:http://linkedlifedata.com/resource/chembl/compound/1042

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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/C12H17N5/c1-8-4-6-9(7-5-8)17-11(14)15-10(13)16-12(17,2)3/h4-7H,1-3H3,(H4,13,14,15,16)
chemicalCompound:standardIn...	IVICPTLSOMKNRU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)N2C(=NC(=NC2(C)C)N)N
chemicalCompound:molecularF...	C12 H17 N5
chemicalCompound:moleculeId	1042
chemicalCompound:mwFreebase	231.297
chemicalCompound:alogp	1.445
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	80
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.106
chemicalCompound:acdLogD	-0.806
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	231.297
chemicalCompound:acdMostBpk...	10.045
chemicalCompound:chemblId	CHEMBL7004
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101042
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:38610, activity:359396, activity:367905, activity:474714, activity:516996, activity:564022, activity:564023, activity:633385, activity:633386, activity:633387, activity:633388, activity:633389, activity:633390, activity:633391, activity:633392, activity:980854, activity:980855, activity:1116147, activity:1116148, activity:1464740