269025

Source:http://linkedlifedata.com/resource/chembl/compound/269025

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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/c19-12-16(11-14-7-3-1-4-8-14)18-17(20)21-13-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,18,20)/t16-/m1/s1
chemicalCompound:standardIn...	WPOFMMJJCPZPAO-MRXNPFEDSA-N
chemicalCompound:canonicalS...	OC[C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2
chemicalCompound:molecularF...	C17 H19 N O3
chemicalCompound:moleculeId	269025
chemicalCompound:mwFreebase	285.338
chemicalCompound:alogp	2.994
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	58.56
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.858
chemicalCompound:acdLogP	2.54
chemicalCompound:acdLogD	2.54
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	285.338
chemicalCompound:chemblId	CHEMBL164463
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:369025
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:502159, activity:502160