364111

Source:http://linkedlifedata.com/resource/chembl/compound/364111

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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/C29H36O8/c30-24(28-26(32)27(33)29(34)37-28)20-36-25(31)14-10-5-3-1-2-4-6-11-19-35-23-17-15-22(16-18-23)21-12-8-7-9-13-21/h7-9,12-13,15-18,24,28,30,32-33H,1-6,10-11,14,19-20H2/t24-,28+/m0/s1
chemicalCompound:standardIn...	HSRXHIBZBUTLII-RBJSKKJNSA-N
chemicalCompound:canonicalS...	O[C@@H](COC(=O)CCCCCCCCCCOc1ccc(cc1)c2ccccc2)[C@H]3OC(=O)C(=C3O)O
chemicalCompound:molecularF...	C29 H36 O8
chemicalCompound:moleculeId	364111
chemicalCompound:mwFreebase	512.591
chemicalCompound:alogp	5.451
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	122.52
chemicalCompound:rtb	17
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.957
chemicalCompound:acdLogP	5.113
chemicalCompound:acdLogD	1.899
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	512.591
chemicalCompound:chemblId	CHEMBL218835
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:464111
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:1794420, activity:1794451