92805

Source:http://linkedlifedata.com/resource/chembl/compound/92805

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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/C17H19NO3/c1-13(18(20)14(2)19)16-8-10-17(11-9-16)21-12-15-6-4-3-5-7-15/h3-11,13,20H,12H2,1-2H3
chemicalCompound:standardIn...	FSUFUKQWXOFBDQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(N(O)C(=O)C)c1ccc(OCc2ccccc2)cc1
chemicalCompound:molecularF...	C17 H19 N O3
chemicalCompound:moleculeId	92805
chemicalCompound:mwFreebase	285.338
chemicalCompound:alogp	2.914
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	49.77
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.191
chemicalCompound:acdLogP	3.103
chemicalCompound:acdLogD	3.096
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	285.338
chemicalCompound:chemblId	CHEMBL418304
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:192805
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:218125, activity:686495, activity:686496, activity:686497, activity:686498, activity:686499, activity:951793, activity:951794, activity:951795, activity:951796, activity:958348, activity:958349, activity:958350