193740

Source:http://linkedlifedata.com/resource/chembl/compound/193740

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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/C11H13IN4/c12-9-3-1-2-7(5-9)4-8-6-15-11(14)16-10(8)13/h1-3,5,8H,4,6H2,(H4,13,14,15,16)
chemicalCompound:standardIn...	NRJXHKNAIVZNNA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC1=NCC(Cc2cccc(I)c2)C(=N1)N
chemicalCompound:molecularF...	C11 H13 I N4
chemicalCompound:moleculeId	193740
chemicalCompound:mwFreebase	328.152
chemicalCompound:alogp	1.726
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	76.75
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.062
chemicalCompound:acdLogD	0.062
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	328.152
chemicalCompound:acdMostBpk...	15.723
chemicalCompound:chemblId	CHEMBL331685
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:293740
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:874434