584929

Source:http://linkedlifedata.com/resource/chembl/compound/584929

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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:1065
chemicalCompound:synonym	synonym:584929_GNF-PF-4467_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C12H17N5O.ClH/c1-12(2)16-10(13)15-11(14)17(12)8-5-4-6-9(7-8)18-3;/h4-7H,1-3H3,(H4,13,14,15,16);1H
chemicalCompound:standardIn...	ADQSSLSBOAKAMZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COc1cccc(c1)N2C(=NC(=NC2(C)C)N)N
chemicalCompound:molecularF...	C12H18ClN5O
chemicalCompound:moleculeId	584929
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	0.533
chemicalCompound:acdLogD	-1.343
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	283.757
chemicalCompound:acdMostBpk...	9.872
chemicalCompound:chemblId	CHEMBL598883
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:684929
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:3037837, activity:3040219, activity:3042720, activity:3043573, activity:3630229, activity:3767731, activity:3951597, activity:4701880, activity:4767572, activity:4847545, activity:4941541, activity:5516016, activity:6233687, activity:6233810, activity:6234319, activity:6973273, activity:7059066, activity:7293421, activity:7447172, activity:7526048