1312196

Source:http://linkedlifedata.com/resource/chembl/compound/1312196

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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/C20H31NO2/c1-19-10-8-14(22)12-13(19)4-5-15-16(19)9-11-20(2)17(15)6-7-18(23)21(20)3/h4,14-17,22H,5-12H2,1-3H3/t14-,15+,16?,17?,19-,20-/m0/s1
chemicalCompound:standardIn...	LSTYNRPPTUJOBK-ZMAWFSDESA-N
chemicalCompound:canonicalS...	CN1C(=O)CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
chemicalCompound:molecularF...	C20H31NO2
chemicalCompound:moleculeId	1312196
chemicalCompound:mwFreebase	317.466
chemicalCompound:alogp	2.609
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	40.54
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.155
chemicalCompound:acdLogD	3.155
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	317.466
chemicalCompound:chemblId	CHEMBL1990905
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1412196
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:8348867, activity:8359698, activity:8378645, activity:8475843, activity:8560702, activity:8621140, activity:8637240, activity:8701859, activity:8713070, activity:8741889, activity:8753123, activity:8846031, activity:8876975, activity:8906402, activity:8945071, activity:9011327, activity:9141879, activity:9157501, activity:9213378, activity:9266113, activity:9301321, activity:9334710, activity:9408364, activity:9410975, activity:9483269, activity:9662693, activity:9689788, activity:9741305, activity:9765102, activity:9834689, activity:9841358, activity:9870369, activity:9937627, activity:10055551, activity:10075238, activity:10082836, activity:10146251, activity:10228413, activity:10257410, activity:10351318, activity:10374960, activity:10421679, activity:10422698, activity:10472471, activity:10479798, activity:10542510, activity:10570190, activity:10650527, activity:10660837, activity:10678557, activity:10760512