548158

Source:http://linkedlifedata.com/resource/chembl/compound/548158

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:711
chemicalCompound:standardIn...	InChI=1S/C11H10N2O.ClH/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11;/h1-4,7H,5-6H2,(H,12,13);1H
chemicalCompound:standardIn...	RFNFFVDVGWOSNZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.C1CN=C(N1)c2oc3ccccc3c2
chemicalCompound:molecularF...	C11H11ClN2O
chemicalCompound:moleculeId	548158
chemicalCompound:mwFreebase	186.21
chemicalCompound:alogp	1.712
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	37.53
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.477
chemicalCompound:acdLogD	0.703
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	222.671
chemicalCompound:acdMostBpk...	9.557
chemicalCompound:chemblId	CHEMBL553725
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:648158
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:1042750, activity:1042751, activity:1042752, activity:1042753