193849

Source:http://linkedlifedata.com/resource/chembl/compound/193849

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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/C11H10N2O/c12-10-5-1-2-6-11(10)14-9-4-3-7-13-8-9/h1-8H,12H2
chemicalCompound:standardIn...	TXZXPJOTSAXPBZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ccccc1Oc2cccnc2
chemicalCompound:molecularF...	C11 H10 N2 O
chemicalCompound:moleculeId	193849
chemicalCompound:mwFreebase	186.21
chemicalCompound:alogp	1.492
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	48.14
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.494
chemicalCompound:acdLogD	1.493
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	186.21
chemicalCompound:acdMostBpk...	4.278
chemicalCompound:chemblId	CHEMBL446157
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:293849
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:384813, activity:384814, activity:384815, activity:384816