123

Source:http://linkedlifedata.com/resource/chembl/compound/123

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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/C13H7FO4/c14-6-1-2-8-9(5-6)7-3-4-10(15)11(16)12(7)18-13(8)17/h1-5,15-16H
chemicalCompound:standardIn...	DTDCPMLDXTXQEE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc2c(OC(=O)c3ccc(F)cc23)c1O
chemicalCompound:molecularF...	C13 H7 F O4
chemicalCompound:moleculeId	123
chemicalCompound:mwFreebase	246.191
chemicalCompound:alogp	2.671
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	66.76
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.659
chemicalCompound:acdLogP	2.168
chemicalCompound:acdLogD	1.956
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	246.191
chemicalCompound:chemblId	CHEMBL263076
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100123
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:104219