364118

Source:http://linkedlifedata.com/resource/chembl/compound/364118

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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/C25H28O8/c26-20(24-22(28)23(29)25(30)33-24)16-32-21(27)9-5-2-6-14-31-15-17-10-12-19(13-11-17)18-7-3-1-4-8-18/h1,3-4,7-8,10-13,20,24,26,28-29H,2,5-6,9,14-16H2/t20-,24+/m0/s1
chemicalCompound:standardIn...	YBHXJUYUJRSOJY-GBXCKJPGSA-N
chemicalCompound:canonicalS...	O[C@@H](COC(=O)CCCCCOCc1ccc(cc1)c2ccccc2)[C@H]3OC(=O)C(=C3O)O
chemicalCompound:molecularF...	C25 H28 O8
chemicalCompound:moleculeId	364118
chemicalCompound:mwFreebase	456.485
chemicalCompound:alogp	2.99
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	122.52
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.957
chemicalCompound:acdLogP	2.419
chemicalCompound:acdLogD	-0.796
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	456.485
chemicalCompound:chemblId	CHEMBL386520
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:464118
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:1794472, activity:1794473