587494

Source:http://linkedlifedata.com/resource/chembl/compound/587494

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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:1133
chemicalCompound:synonym	synonym:587494_GNF-PF-2380_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C11H14FN5.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...	JPRQUISRTNULCA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC1(C)N=C(N)N=C(N)N1c2ccc(F)cc2
chemicalCompound:molecularF...	C11H15ClFN5
chemicalCompound:moleculeId	587494
chemicalCompound:mwFreebase	235.261
chemicalCompound:alogp	1.164
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	80
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.406
chemicalCompound:acdLogD	-1.376
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	271.722
chemicalCompound:acdMostBpk...	9.578
chemicalCompound:chemblId	CHEMBL601766
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:687494
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:3024893, activity:3031811, activity:3033826, activity:3034770, activity:3047395, activity:3050886, activity:6233679, activity:6233802, activity:6234311