161311

Source:http://linkedlifedata.com/resource/chembl/compound/161311

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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/C17H27NO/c1-14-7-9-15(10-8-14)16(13-18(2)3)17(19)11-5-4-6-12-17/h7-10,16,19H,4-6,11-13H2,1-3H3
chemicalCompound:standardIn...	OPDPMFSQSBDMAI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)CC(c1ccc(C)cc1)C2(O)CCCCC2
chemicalCompound:molecularF...	C17 H27 N O
chemicalCompound:moleculeId	161311
chemicalCompound:mwFreebase	261.402
chemicalCompound:alogp	3.524
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	23.47
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.769
chemicalCompound:acdLogD	1.029
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	261.402
chemicalCompound:acdMostBpk...	9.288
chemicalCompound:chemblId	CHEMBL99670
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:261311
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:736418, activity:736419, activity:736420