504389

Source:http://linkedlifedata.com/resource/chembl/compound/504389

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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/C20H20O14/c21-9-1-7(2-10(22)14(9)25)17(28)32-5-13-16(27)20(31,19(30)34-13)6-33-18(29)8-3-11(23)15(26)12(24)4-8/h1-4,13,16,19,21-27,30-31H,5-6H2/t13-,16-,19?,20-/m0/s1
chemicalCompound:standardIn...	FEPAFOYQTIEEIS-WZKFEGCESA-N
chemicalCompound:canonicalS...	OC1O[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@]1(O)COC(=O)c3cc(O)c(O)c(O)c3
chemicalCompound:molecularF...	C20H20O14
chemicalCompound:moleculeId	504389
chemicalCompound:mwFreebase	484.364
chemicalCompound:alogp	-0.052
chemicalCompound:hba	14
chemicalCompound:hbd	9
chemicalCompound:psa	243.89
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.415
chemicalCompound:acdLogP	0.393
chemicalCompound:acdLogD	0.222
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	484.364
chemicalCompound:chemblId	CHEMBL465414
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:604389
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	HAMAMELITANIN
chemicalCompound:activity	activity:2335483, activity:2335487, activity:2335491