466686

Source:http://linkedlifedata.com/resource/chembl/compound/466686

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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/C13H16O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h5,7,14-15H,4H2,1-3H3,(H,16,17)/t5-,7-/m1/s1
chemicalCompound:standardIn...	OHTHCLNOXXLROK-IYSWYEEDSA-N
chemicalCompound:canonicalS...	C[C@H]1OCc2c(O)c(C(=O)O)c(O)c(C)c2[C@@H]1C
chemicalCompound:molecularF...	C13H16O5
chemicalCompound:moleculeId	466686
chemicalCompound:mwFreebase	252.263
chemicalCompound:alogp	2.037
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	86.99
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	1.436
chemicalCompound:acdLogP	3.701
chemicalCompound:acdLogD	0.551
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	252.263
chemicalCompound:chemblId	CHEMBL465873
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:566686
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	DIHYDROCITRININ
chemicalCompound:activity	activity:2212665