124832

Source:http://linkedlifedata.com/resource/chembl/compound/124832

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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/C21H36O3/c1-13(23)17-5-6-19-16-4-3-14-11-15(24)7-9-20(14,2)18(16)8-10-21(17,19)12-22/h13-19,22-24H,3-12H2,1-2H3/t13-,14+,15?,16?,17?,18?,19?,20?,21?/m1/s1
chemicalCompound:standardIn...	QKLAQQPYBMSHRP-RIJKRFONSA-N
chemicalCompound:canonicalS...	C[C@@H](O)C1CCC2C3CC[C@H]4CC(O)CCC4(C)C3CCC12CO
chemicalCompound:molecularF...	C21 H36 O3
chemicalCompound:moleculeId	124832
chemicalCompound:mwFreebase	336.509
chemicalCompound:alogp	2.97
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	60.69
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.543
chemicalCompound:acdLogD	3.543
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	336.509
chemicalCompound:chemblId	CHEMBL306084
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:224832
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:115274, activity:115275