107647

Source:http://linkedlifedata.com/resource/chembl/compound/107647

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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/C9H10N6/c1-6(14-15-9(11)12)8-4-7(5-10)2-3-13-8/h2-4H,1H3,(H4,11,12,15)/b14-6+
chemicalCompound:standardIn...	DCBMNNKUSZCQTD-MKMNVTDBSA-N
chemicalCompound:canonicalS...	C\C(=N/N=C(N)N)\c1cc(ccn1)C#N
chemicalCompound:molecularF...	C9 H10 N6
chemicalCompound:moleculeId	107647
chemicalCompound:mwFreebase	202.216
chemicalCompound:alogp	0
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	113.44
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.607
chemicalCompound:acdLogD	0.34
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	202.216
chemicalCompound:acdMostBpk...	7.337
chemicalCompound:chemblId	CHEMBL66622
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:207647
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:943166