229947

Source:http://linkedlifedata.com/resource/chembl/compound/229947

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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/C11H16N2O3/c1-3-15-11(14)8-7-10(16-12-8)9-5-4-6-13(9)2/h7,9H,3-6H2,1-2H3/t9-/m1/s1
chemicalCompound:standardIn...	ANKBLHAFIHJILB-SECBINFHSA-N
chemicalCompound:canonicalS...	CCOC(=O)c1cc(on1)[C@H]2CCCN2C
chemicalCompound:molecularF...	C11 H16 N2 O3
chemicalCompound:moleculeId	229947
chemicalCompound:mwFreebase	224.256
chemicalCompound:alogp	1.664
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	55.57
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.169
chemicalCompound:acdLogD	-1.046
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	224.256
chemicalCompound:acdMostBpk...	8.593
chemicalCompound:chemblId	CHEMBL140648
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:329947
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:261555