436642

Source:http://linkedlifedata.com/resource/chembl/compound/436642

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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/C16H14O4/c1-19-12-6-7-13-14(18)9-15(20-16(13)8-12)10-2-4-11(17)5-3-10/h2-8,15,17H,9H2,1H3
chemicalCompound:standardIn...	OJOSVTQXBSSCMQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc2C(=O)CC(Oc2c1)c3ccc(O)cc3
chemicalCompound:molecularF...	C16 H14 O4
chemicalCompound:moleculeId	436642
chemicalCompound:mwFreebase	270.28
chemicalCompound:alogp	2.841
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	55.76
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.655
chemicalCompound:acdLogP	2.483
chemicalCompound:acdLogD	2.48
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	270.28
chemicalCompound:chemblId	CHEMBL402970
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:536642
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:2091014, activity:2091022, activity:6197408, activity:6197453, activity:6197582, activity:6197627