465405

Source:http://linkedlifedata.com/resource/chembl/compound/465405

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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/C21H20O10/c22-8-14-17(25)19(27)20(28)21(31-14)30-13-7-12-15(18(26)16(13)24)10(23)6-11(29-12)9-4-2-1-3-5-9/h1-7,14,17,19-22,24-28H,8H2/t14-,17-,19+,20-,21-/m1/s1
chemicalCompound:standardIn...	IPQKDIRUZHOIOM-IAAKTDFRSA-N
chemicalCompound:canonicalS...	OC[C@H]1O[C@@H](Oc2cc3OC(=CC(=O)c3c(O)c2O)c4ccccc4)[C@H](O)[C@@H](O)[C@@H]1O
chemicalCompound:molecularF...	C21H20O10
chemicalCompound:moleculeId	465405
chemicalCompound:mwFreebase	432.378
chemicalCompound:alogp	0.48
chemicalCompound:hba	10
chemicalCompound:hbd	6
chemicalCompound:psa	166.14
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.916
chemicalCompound:acdLogP	1.533
chemicalCompound:acdLogD	0.03
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	432.378
chemicalCompound:chemblId	CHEMBL516858
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:565405
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:1441108, activity:3616032, activity:3688932, activity:3718659, activity:3929168, activity:4038070, activity:4154591, activity:4384713, activity:4609620, activity:4772386, activity:4828139, activity:4832726, activity:7052230, activity:10071917