482591

Source:http://linkedlifedata.com/resource/chembl/compound/482591

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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/C35H52O9/c1-17(2)22-13-24(38)35(8,44-22)29-20(36)14-32(5)23-11-9-18-19(34(23,7)25(39)15-33(29,32)6)10-12-26(31(18,3)4)43-30-28(41)27(40)21(37)16-42-30/h9,13,17,19-21,23,26-30,36-37,40-41H,10-12,14-16H2,1-8H3/t19-,20-,21-,23+,26-,27+,28-,29+,30+,32+,33-,34+,35-/m1/s1
chemicalCompound:standardIn...	CNZWIBJPXRQCLH-KRGQMLRESA-N
chemicalCompound:canonicalS...	CC(C)C1=CC(=O)[C@@](C)(O1)[C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C5(C)C)[C@]4(C)C(=O)C[C@]23C
chemicalCompound:molecularF...	C35H52O9
chemicalCompound:moleculeId	482591
chemicalCompound:mwFreebase	616.782
chemicalCompound:alogp	2.578
chemicalCompound:hba	9
chemicalCompound:hbd	4
chemicalCompound:psa	142.75
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.025
chemicalCompound:acdLogP	2.52
chemicalCompound:acdLogD	2.52
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	616.782
chemicalCompound:chemblId	CHEMBL500696
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:582591
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:2318649, activity:2318653, activity:2318658, activity:2318663, activity:2318674, activity:2318677, activity:2318680, activity:2318683, activity:2318686, activity:2318689, activity:2318692, activity:2318696