194948

Source:http://linkedlifedata.com/resource/chembl/compound/194948

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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/C17H18N4/c18-16-15(11-20-17(19)21-16)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H4,18,19,20,21)
chemicalCompound:standardIn...	UZWIGXZSOSHNKZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC1=NCC(Cc2ccc(cc2)c3ccccc3)C(=N1)N
chemicalCompound:molecularF...	C17 H18 N4
chemicalCompound:moleculeId	194948
chemicalCompound:mwFreebase	278.352
chemicalCompound:alogp	2.666
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	76.75
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.636
chemicalCompound:acdLogD	0.636
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	278.352
chemicalCompound:acdMostBpk...	15.762
chemicalCompound:chemblId	CHEMBL333695
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:294948
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:900049