174104

Source:http://linkedlifedata.com/resource/chembl/compound/174104

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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/C19H18NO/c1-20-13-11-15(12-14-20)7-8-16-9-10-19(21-2)18-6-4-3-5-17(16)18/h3-14H,1-2H3/q+1/b8-7+
chemicalCompound:standardIn...	URMJFOSYOFMDFR-BQYQJAHWSA-N
chemicalCompound:canonicalS...	COc1ccc(\C=C\c2cc[n+](C)cc2)c3ccccc13
chemicalCompound:molecularF...	C19 H18 N O
chemicalCompound:moleculeId	174104
chemicalCompound:mwFreebase	276.352
chemicalCompound:alogp	4.312
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	13.11
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.746
chemicalCompound:acdLogD	0.746
chemicalCompound:fullMwt	276.352
chemicalCompound:chemblId	CHEMBL106996
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:274104
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:529562