101358

Source:http://linkedlifedata.com/resource/chembl/compound/101358

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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/C10H13N5/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)
chemicalCompound:standardIn...	KTJWHJNBTXITCB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ncnc2c1ncn2C3CCCC3
chemicalCompound:molecularF...	C10H13N5
chemicalCompound:moleculeId	101358
chemicalCompound:mwFreebase	203.244
chemicalCompound:alogp	1.166
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	69.62
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.241
chemicalCompound:acdLogD	1.24
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	203.244
chemicalCompound:acdMostBpk...	4.57
chemicalCompound:chemblId	CHEMBL294590
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:201358
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:249921, activity:249922, activity:652875, activity:652876, activity:652877, activity:652878, activity:652879, activity:2281114, activity:2281164, activity:2281214, activity:2281264, activity:2604476, activity:2604501, activity:2604526, activity:2604551, activity:2604576, activity:2604601, activity:3472819, activity:3488274, activity:5337528, activity:5682046, activity:5774918, activity:7445753