534651

Source:http://linkedlifedata.com/resource/chembl/compound/534651

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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:1200
chemicalCompound:synonym	synonym:534651_GNF-PF-3611_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C11H15N5.ClH/c1-11(2)15-9(12)14-10(13)16(11)8-6-4-3-5-7-8;/h3-7H,1-2H3,(H4,12,13,14,15);1H
chemicalCompound:standardIn...	QDPFZWLLUCPLDI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC1(C)N=C(N)N=C(N)N1c2ccccc2
chemicalCompound:molecularF...	C11H16ClN5
chemicalCompound:moleculeId	534651
chemicalCompound:mwFreebase	217.27
chemicalCompound:alogp	0.959
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	80
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.292
chemicalCompound:acdLogD	-1.556
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	253.731
chemicalCompound:acdMostBpk...	9.771
chemicalCompound:chemblId	CHEMBL532909
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:634651
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:2852485, activity:2854522, activity:2865677, activity:2867677, activity:2870225, activity:2878791, activity:3035414, activity:3037418, activity:3039595, activity:3040856, activity:3635226, activity:3661259, activity:3693711, activity:3770039, activity:3952634, activity:4249667, activity:4705885, activity:4771570, activity:4851541, activity:4885870, activity:4960047, activity:4974308, activity:6233731, activity:6233854, activity:6234657, activity:6521856, activity:6881236, activity:6926660, activity:7042398, activity:7346059, activity:7443527, activity:7517555