297509

Source:http://linkedlifedata.com/resource/chembl/compound/297509

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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/C11H9N5/c1-2-4-8(5-3-1)16-11-9-10(13-6-12-9)14-7-15-11/h1-7H,(H2,12,13,14,15,16)
chemicalCompound:standardIn...	WCZNSRQVTJYMRQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	N(c1ccccc1)c2ncnc3[nH]cnc23
chemicalCompound:molecularF...	C11H9N5
chemicalCompound:moleculeId	297509
chemicalCompound:mwFreebase	211.223
chemicalCompound:alogp	1.855
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	66.48
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.854
chemicalCompound:acdLogP	2.043
chemicalCompound:acdLogD	2.039
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	211.223
chemicalCompound:acdMostBpk...	3.163
chemicalCompound:chemblId	CHEMBL359730
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:397509
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:1406453, activity:1406454, activity:1406455, activity:1406456, activity:1406457, activity:1406458, activity:1406459, activity:1406460, activity:1406461, activity:1406462, activity:1406463, activity:1406464, activity:1406465, activity:1406466, activity:1406467, activity:2467927, activity:2467962, activity:2467963, activity:2467983, activity:2468003, activity:2468023