1093

Source:http://linkedlifedata.com/resource/chembl/compound/1093

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C12H14N6/c1-12(2)17-10(14)16-11(15)18(12)9-5-3-4-8(6-9)7-13/h3-6H,1-2H3,(H4,14,15,16,17)
chemicalCompound:standardIn...	NCLZDLNUFXETQQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1(C)N=C(N)N=C(N)N1c2cccc(c2)C#N
chemicalCompound:molecularF...	C12 H14 N6
chemicalCompound:moleculeId	1093
chemicalCompound:mwFreebase	242.28
chemicalCompound:alogp	0.838
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	103.79
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-0.51
chemicalCompound:acdLogD	-1.835
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	242.28
chemicalCompound:acdMostBpk...	8.807
chemicalCompound:chemblId	CHEMBL268914
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101093
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:57166, activity:203462, activity:203463, activity:451132, activity:451133, activity:451134, activity:496211, activity:507109, activity:550787, activity:560546, activity:724777, activity:724778, activity:724779, activity:960760, activity:960761, activity:1110147, activity:1110148, activity:1173242