297592

Source:http://linkedlifedata.com/resource/chembl/compound/297592

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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/C12H10N4/c1-2-4-9(5-3-1)6-10-11-12(15-7-13-10)16-8-14-11/h1-5,7-8H,6H2,(H,13,14,15,16)
chemicalCompound:standardIn...	PVRBGBGMDLPYKG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C(c1ccccc1)c2[nH]cnc3ncnc23
chemicalCompound:molecularF...	C12 H10 N4
chemicalCompound:moleculeId	297592
chemicalCompound:mwFreebase	210.235
chemicalCompound:alogp	1.744
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	54.46
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.189
chemicalCompound:acdLogD	-1.217
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	210.235
chemicalCompound:acdMostBpk...	9.127
chemicalCompound:chemblId	CHEMBL367930
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:397592
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:1408084, activity:1408085, activity:1408086, activity:1408087, activity:1408088, activity:1408089, activity:1408090, activity:1408091, activity:1408092, activity:1408093, activity:1408094, activity:1408095, activity:1408096, activity:1408097, activity:1408098