535386

Source:http://linkedlifedata.com/resource/chembl/compound/535386

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1086
chemicalCompound:synonym	synonym:535386_GNF-PF-806_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C12H17N5O.ClH/c1-12(2)16-10(13)15-11(14)17(12)8-4-6-9(18-3)7-5-8;/h4-7H,1-3H3,(H4,13,14,15,16);1H
chemicalCompound:standardIn...	QYPYKZMBXDTOFR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COc1ccc(cc1)N2C(=NC(=NC2(C)C)N)N
chemicalCompound:molecularF...	C12H18ClN5O
chemicalCompound:moleculeId	535386
chemicalCompound:mwFreebase	247.296
chemicalCompound:alogp	0.943
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	89.23
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.157
chemicalCompound:acdLogD	-1.754
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	283.757
chemicalCompound:acdMostBpk...	10.039
chemicalCompound:chemblId	CHEMBL547101
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:635386
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:2822770, activity:2839570, activity:2841528, activity:2860327, activity:2874474, activity:2878583, activity:3025254, activity:3027051, activity:3029059, activity:3029944, activity:3694827, activity:3753700, activity:4614181, activity:4964171, activity:4978391, activity:5435564, activity:5813608, activity:5988956, activity:6010386, activity:6013616, activity:6016953, activity:6019839, activity:6234914, activity:6517214, activity:6610787, activity:6975858, activity:7096362, activity:7321593, activity:7487386