328894

Source:http://linkedlifedata.com/resource/chembl/compound/328894

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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/C15H17NO3/c17-13-6-4-11-5-7-14(18)19-15(11)12(13)10-16-8-2-1-3-9-16/h4-7,17H,1-3,8-10H2
chemicalCompound:standardIn...	HCOQDCSXZLTSRQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc2C=CC(=O)Oc2c1CN3CCCCC3
chemicalCompound:molecularF...	C15 H17 N O3
chemicalCompound:moleculeId	328894
chemicalCompound:mwFreebase	259.3
chemicalCompound:alogp	2.648
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	49.77
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.019
chemicalCompound:acdLogP	2.306
chemicalCompound:acdLogD	0.985
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	259.3
chemicalCompound:acdMostBpk...	8.77
chemicalCompound:chemblId	CHEMBL193416
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:428894
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:1608808, activity:1608809, activity:1608810, activity:1608811, activity:1608812, activity:2135146, activity:2135203, activity:2135275, activity:2135340, activity:2135405, activity:2135406, activity:2135407, activity:2135408, activity:2135409, activity:2135410