42052

Source:http://linkedlifedata.com/resource/chembl/compound/42052

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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/C13H16N4O2/c1-18-10-4-8(5-11(6-10)19-2)3-9-7-16-13(15)17-12(9)14/h4-7H,3H2,1-2H3,(H4,14,15,16,17)
chemicalCompound:standardIn...	HQXBYBOVCDPXCB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1
chemicalCompound:molecularF...	C13 H16 N4 O2
chemicalCompound:moleculeId	42052
chemicalCompound:mwFreebase	260.292
chemicalCompound:alogp	1.559
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	96.28
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.673
chemicalCompound:acdLogD	1.528
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	260.292
chemicalCompound:acdMostBpk...	6.987
chemicalCompound:chemblId	CHEMBL287241
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:142052
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:56585, activity:56586, activity:387336, activity:430117, activity:430118, activity:501115, activity:501116, activity:540740, activity:629468, activity:629469, activity:636168, activity:636169, activity:636170, activity:636171, activity:636172, activity:636173, activity:636174, activity:636175, activity:636176, activity:636177, activity:639899, activity:642178, activity:644588, activity:736944, activity:736945, activity:897054, activity:988550, activity:988551, activity:988552, activity:988553, activity:1011467, activity:1011468, activity:1011469, activity:1070258, activity:1070259, activity:1154717