335756

Source:http://linkedlifedata.com/resource/chembl/compound/335756

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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/C12H9N3O/c16-10-6-3-7-13-11(10)12-14-8-4-1-2-5-9(8)15-12/h1-7,16H,(H,14,15)
chemicalCompound:standardIn...	SRYNFTOUOFLELK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1cccnc1c2nc3ccccc3[nH]2
chemicalCompound:molecularF...	C12 H9 N3 O
chemicalCompound:moleculeId	335756
chemicalCompound:mwFreebase	211.219
chemicalCompound:alogp	2.306
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	61.8
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.916
chemicalCompound:acdLogP	1.361
chemicalCompound:acdLogD	-0.09
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	211.219
chemicalCompound:acdMostBpk...	2.171
chemicalCompound:chemblId	CHEMBL372398
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:435756
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:1670305, activity:1670345, activity:3353737, activity:3353747, activity:3353786, activity:3353824, activity:3354113