739110

Source:http://linkedlifedata.com/resource/chembl/compound/739110

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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/C20H27NO3/c1-8-3-19-6-10-15-18(2)4-9(22)5-20(15)16(19)14(24)11(8)13(23)12(19)17(20)21(10)7-18/h9-17,22-24H,1,3-7H2,2H3/t9-,10?,11-,12-,13-,14+,15?,16?,17+,18-,19-,20-/m0/s1
chemicalCompound:standardIn...	PIWJSAMCEMZIDO-HLGPZCLQSA-N
chemicalCompound:canonicalS...	C[C@@]12C[C@H](O)C[C@@]34[C@H]5[C@@H]6[C@@H](O)[C@H]7[C@@H](O)C3[C@]6(CC(C14)N5C2)CC7=C
chemicalCompound:molecularF...	C20H27NO3
chemicalCompound:moleculeId	739110
chemicalCompound:mwFreebase	329.433
chemicalCompound:alogp	-0.409
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	63.93
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0
chemicalCompound:acdLogD	-2.149
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	329.433
chemicalCompound:acdMostBpk...	9.034
chemicalCompound:chemblId	CHEMBL1315226
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:839110
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:4848017