238950

Source:http://linkedlifedata.com/resource/chembl/compound/238950

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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/C19H15NO3/c1-12-13(2)19(21)23-18-9-16(7-8-17(12)18)22-11-15-6-4-3-5-14(15)10-20/h3-9H,11H2,1-2H3
chemicalCompound:standardIn...	QETCJXAGEMNSOG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=C(C)c2ccc(OCc3ccccc3C#N)cc2OC1=O
chemicalCompound:molecularF...	C19 H15 N O3
chemicalCompound:moleculeId	238950
chemicalCompound:mwFreebase	305.327
chemicalCompound:alogp	4.238
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	59.31
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.808
chemicalCompound:acdLogD	3.808
chemicalCompound:fullMwt	305.327
chemicalCompound:chemblId	CHEMBL342327
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:338950
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:234774, activity:234775, activity:1773845, activity:1773905