609979

Source:http://linkedlifedata.com/resource/chembl/compound/609979

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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/C9H18NO/c1-8(2)6-5-7-9(3,4)10(8)11/h5-7H2,1-4H3
chemicalCompound:standardIn...	QYTDEUPAUMOIOP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1(C)CCCC(C)(C)N1[O]
chemicalCompound:molecularF...	C9H18NO
chemicalCompound:moleculeId	609979
chemicalCompound:mwFreebase	156.245
chemicalCompound:alogp	1.898
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	23.14
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.662
chemicalCompound:acdLogD	1.648
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	157.253
chemicalCompound:acdMostBpk...	5.906
chemicalCompound:chemblId	CHEMBL606971
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:709979
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:32849
chemicalCompound:activity	activity:1163840, activity:1163841, activity:5228285, activity:5228286, activity:8017344, activity:8017345