406323

Source:http://linkedlifedata.com/resource/chembl/compound/406323

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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/C20H28O4/c1-20-6-5-13-14(16(20)7-12(10-21)19(20)23)4-3-11-8-17(22)18(24-2)9-15(11)13/h8-9,12-14,16,19,21-23H,3-7,10H2,1-2H3/t12-,13-,14+,16-,19-,20-/m0/s1
chemicalCompound:standardIn...	KUVHVAUZZQUZNT-GFGYGTBUSA-N
chemicalCompound:canonicalS...	COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)[C@H](CO)C[C@H]4[C@@H]3CCc2cc1O
chemicalCompound:molecularF...	C20 H28 O4
chemicalCompound:moleculeId	406323
chemicalCompound:mwFreebase	332.434
chemicalCompound:alogp	2.92
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	69.92
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.284
chemicalCompound:acdLogP	2.867
chemicalCompound:acdLogD	2.867
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	332.434
chemicalCompound:chemblId	CHEMBL239880
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:506323
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:1992977, activity:1992994, activity:1993006