100168

Source:http://linkedlifedata.com/resource/chembl/compound/100168

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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/C24H18O6/c1-27-16-9-6-14(7-10-16)21-17-4-2-3-5-18(17)30-23(22(21)24(25)26)15-8-11-19-20(12-15)29-13-28-19/h2-12,23H,13H2,1H3,(H,25,26)
chemicalCompound:standardIn...	CFNXHTFSBOPIFW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)C2=C(C(Oc3ccccc23)c4ccc5OCOc5c4)C(=O)O
chemicalCompound:molecularF...	C24 H18 O6
chemicalCompound:moleculeId	100168
chemicalCompound:mwFreebase	402.396
chemicalCompound:alogp	4.467
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	74.22
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.794
chemicalCompound:acdLogP	4.526
chemicalCompound:acdLogD	1.155
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	402.396
chemicalCompound:chemblId	CHEMBL417050
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:200168
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:213570, activity:213571, activity:213572, activity:981840