99695

Source:http://linkedlifedata.com/resource/chembl/compound/99695

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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/C20H18O6/c1-11(2)25-14-4-6-16-13(7-14)8-15(20(21)22)19(26-16)12-3-5-17-18(9-12)24-10-23-17/h3-9,11,19H,10H2,1-2H3,(H,21,22)/t19-/m1/s1
chemicalCompound:standardIn...	GRIGMBRNAIDEAD-LJQANCHMSA-N
chemicalCompound:canonicalS...	CC(C)Oc1ccc2O[C@@H](C(=Cc2c1)C(=O)O)c3ccc4OCOc4c3
chemicalCompound:molecularF...	C20 H18 O6
chemicalCompound:moleculeId	99695
chemicalCompound:mwFreebase	354.353
chemicalCompound:alogp	3.715
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	74.22
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.695
chemicalCompound:acdLogP	4.119
chemicalCompound:acdLogD	0.693
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	354.353
chemicalCompound:chemblId	CHEMBL293161
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:199695
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:219589, activity:219590, activity:219591, activity:974369