203323

Source:http://linkedlifedata.com/resource/chembl/compound/203323

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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/C14H17NO3/c1-3-4-5-6-14(17)15-10-11-7-8-12(16)13(9-11)18-2/h3-9,16H,10H2,1-2H3,(H,15,17)/b4-3+,6-5+
chemicalCompound:standardIn...	OYUWUMAZTDSLBL-VNKDHWASSA-N
chemicalCompound:canonicalS...	COc1cc(CNC(=O)\C=C\C=C\C)ccc1O
chemicalCompound:molecularF...	C14 H17 N O3
chemicalCompound:moleculeId	203323
chemicalCompound:mwFreebase	247.29
chemicalCompound:alogp	2.266
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	58.56
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.754
chemicalCompound:acdLogP	1.595
chemicalCompound:acdLogD	1.593
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	247.29
chemicalCompound:chemblId	CHEMBL123255
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:303323
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:1200351, activity:1200352