541124

Source:http://linkedlifedata.com/resource/chembl/compound/541124

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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:1199
chemicalCompound:synonym	synonym:541124_GNF-PF-1945_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C11H14BrN5.ClH/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8;/h3-6H,1-2H3,(H4,13,14,15,16);1H
chemicalCompound:standardIn...	FYJWEIIPLUAXTN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC1(C)N=C(N)N=C(N)N1c2ccc(Br)cc2
chemicalCompound:molecularF...	C11H15BrClN5
chemicalCompound:moleculeId	541124
chemicalCompound:mwFreebase	296.166
chemicalCompound:alogp	1.707
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	80
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.038
chemicalCompound:acdLogD	-0.595
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	332.627
chemicalCompound:acdMostBpk...	9.266
chemicalCompound:chemblId	CHEMBL535468
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:641124
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:2826382, activity:2832496, activity:2855182, activity:2860925, activity:2864119, activity:2869791, activity:3023683, activity:3030580, activity:3032598, activity:3033530, activity:6234915