24481

Source:http://linkedlifedata.com/resource/chembl/compound/24481

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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/C19H20N6O/c1-19(2)24-17(21)23-18(22)25(19)15-7-3-6-14(9-15)12-26-16-8-4-5-13(10-16)11-20/h3-10H,12H2,1-2H3,(H4,21,22,23,24)
chemicalCompound:standardIn...	UHSFYDTWKATRPP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1(C)N=C(N)N=C(N)N1c2cccc(COc3cccc(c3)C#N)c2
chemicalCompound:molecularF...	C19 H20 N6 O
chemicalCompound:moleculeId	24481
chemicalCompound:mwFreebase	348.402
chemicalCompound:alogp	2.405
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	113.02
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.424
chemicalCompound:acdLogD	-0.366
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	348.402
chemicalCompound:acdMostBpk...	9.597
chemicalCompound:chemblId	CHEMBL283740
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:124481
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:45679, activity:196291, activity:196292, activity:462781, activity:462782, activity:462783, activity:501009, activity:555790, activity:725932, activity:725933, activity:725934, activity:960701, activity:960702, activity:1135628, activity:1135629