101357

Source:http://linkedlifedata.com/resource/chembl/compound/101357

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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/C11H15N5/c12-10-9-11(14-6-13-10)16(7-15-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,12,13,14)
chemicalCompound:standardIn...	FRZBEYVOLNQETR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ncnc2c1ncn2C3CCCCC3
chemicalCompound:molecularF...	C11H15N5
chemicalCompound:moleculeId	101357
chemicalCompound:mwFreebase	217.27
chemicalCompound:alogp	1.622
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	69.62
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.768
chemicalCompound:acdLogD	1.768
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	217.27
chemicalCompound:acdMostBpk...	4.495
chemicalCompound:chemblId	CHEMBL63783
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:201357
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:256676, activity:256677, activity:2281116, activity:2281166, activity:2281216, activity:2281266, activity:3009308, activity:3010407