28873

Source:http://linkedlifedata.com/resource/chembl/compound/28873

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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/C9H11N3/c1-10-9-11-6-7-4-2-3-5-8(7)12-9/h2-5H,6H2,1H3,(H2,10,11,12)
chemicalCompound:standardIn...	HGWQCCCCLPPNRM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNC1=NCc2ccccc2N1
chemicalCompound:molecularF...	C9 H11 N3
chemicalCompound:moleculeId	28873
chemicalCompound:mwFreebase	161.204
chemicalCompound:alogp	0.96
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	36.42
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.386
chemicalCompound:acdLogD	-0.598
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	161.204
chemicalCompound:acdMostBpk...	12.053
chemicalCompound:chemblId	CHEMBL25163
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:128873
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:56593, activity:56594, activity:56595, activity:56596, activity:56597, activity:56598, activity:56599