645134

Source:http://linkedlifedata.com/resource/chembl/compound/645134

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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/C20H30O4/c1-10-11-8-12(21)15-19(4)7-5-6-18(2,3)13(19)9-14(22)20(15,16(10)23)17(11)24/h11-15,17,21-22,24H,1,5-9H2,2-4H3/t11-,12-,13+,14+,15-,17+,19+,20+/m0/s1
chemicalCompound:standardIn...	JHBXJYSJVIFEFY-FPARTEGVSA-N
chemicalCompound:canonicalS...	CC1(C)CCC[C@]2(C)[C@@H]1C[C@@H](O)[C@@]34[C@H](O)[C@@H](C[C@H](O)[C@@H]23)C(=C)C4=O
chemicalCompound:molecularF...	C20H30O4
chemicalCompound:moleculeId	645134
chemicalCompound:mwFreebase	334.45
chemicalCompound:alogp	1.746
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	77.76
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.925
chemicalCompound:acdLogP	2.838
chemicalCompound:acdLogD	2.838
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	334.45
chemicalCompound:chemblId	CHEMBL1163642
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:745134
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:3329325, activity:3329335, activity:3329336, activity:3329342, activity:3329345