197181

Source:http://linkedlifedata.com/resource/chembl/compound/197181

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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/C17H24N2O4/c1-2-3-4-5-8-22-15-6-7-16-14(10-15)9-13(12-23-16)11-19(21)17(18)20/h6-7,9-10,21H,2-5,8,11-12H2,1H3,(H2,18,20)
chemicalCompound:standardIn...	HVXJPWACPZJWIP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCOc1ccc2OCC(=Cc2c1)CN(O)C(=O)N
chemicalCompound:molecularF...	C17 H24 N2 O4
chemicalCompound:moleculeId	197181
chemicalCompound:mwFreebase	320.383
chemicalCompound:alogp	3.149
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	85.02
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.185
chemicalCompound:acdLogP	3.749
chemicalCompound:acdLogD	3.747
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	320.383
chemicalCompound:chemblId	CHEMBL121846
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:297181
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:287341, activity:287342, activity:287343, activity:287344