421399

Source:http://linkedlifedata.com/resource/chembl/compound/421399

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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/C21H18O11/c22-10-4-2-1-3-9(10)13-7-12(24)15-11(23)5-8(6-14(15)31-13)30-21(29)19-17(26)16(25)18(27)20(28)32-19/h1-7,16-20,22-23,25-28H/t16-,17-,18+,19-,20+/m1/s1
chemicalCompound:standardIn...	XFSNPKGIORLDJE-OBKDMQGPSA-N
chemicalCompound:canonicalS...	O[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(=O)Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccccc4O
chemicalCompound:molecularF...	C21 H18 O11
chemicalCompound:moleculeId	421399
chemicalCompound:mwFreebase	446.361
chemicalCompound:alogp	0.238
chemicalCompound:hba	11
chemicalCompound:hbd	6
chemicalCompound:psa	183.2
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.644
chemicalCompound:acdLogP	1.466
chemicalCompound:acdLogD	-0.298
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	446.361
chemicalCompound:chemblId	CHEMBL251483
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:521399
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:2063383, activity:2063392