430432

Source:http://linkedlifedata.com/resource/chembl/compound/430432

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:94605
chemicalCompound:standardIn...	InChI=1S/C16H18O8.C2H4O2/c1-23-5-7-3-9(17)13(19)15(21)11(7)12-8(6-24-2)4-10(18)14(20)16(12)22;1-2(3)4/h3-4,17-22H,5-6H2,1-2H3;1H3,(H,3,4)
chemicalCompound:standardIn...	SCYZQBPDGMCDMY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COCc1cc(O)c(O)c(O)c1c2c(O)c(O)c(O)cc2COC.CC(=O)O
chemicalCompound:molecularF...	C16 H18 O8 . C2 H4 O2
chemicalCompound:moleculeId	430432
chemicalCompound:mwFreebase	338.309
chemicalCompound:alogp	1.504
chemicalCompound:hba	8
chemicalCompound:hbd	6
chemicalCompound:psa	139.84
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.182
chemicalCompound:acdLogP	-0.662
chemicalCompound:acdLogD	-0.77
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	398.361
chemicalCompound:chemblId	CHEMBL437222
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:530432
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:2136845, activity:2136847, activity:2136849