82813

Source:http://linkedlifedata.com/resource/chembl/compound/82813

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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/C18H21NO3/c1-2-12-19(21)18(20)13-15-8-10-17(11-9-15)22-14-16-6-4-3-5-7-16/h3-11,21H,2,12-14H2,1H3
chemicalCompound:standardIn...	UVQVCBMBHFKYJA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCN(O)C(=O)Cc1ccc(OCc2ccccc2)cc1
chemicalCompound:molecularF...	C18 H21 N O3
chemicalCompound:moleculeId	82813
chemicalCompound:mwFreebase	299.364
chemicalCompound:alogp	3.525
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	49.77
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.054
chemicalCompound:acdLogP	3.269
chemicalCompound:acdLogD	3.259
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	299.364
chemicalCompound:chemblId	CHEMBL55133
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:182813
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:79392, activity:79393, activity:79394, activity:79395, activity:79396, activity:79397