568498

Source:http://linkedlifedata.com/resource/chembl/compound/568498

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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/C17H13FO4/c18-14-6-2-4-12(9-14)7-11-3-1-5-13(8-11)15(19)10-16(20)17(21)22/h1-6,8-10,20H,7H2,(H,21,22)/b16-10-
chemicalCompound:standardIn...	FTVCCUKUPQHRLI-YBEGLDIGSA-N
chemicalCompound:canonicalS...	OC(=O)\C(=C\C(=O)c1cccc(Cc2cccc(F)c2)c1)\O
chemicalCompound:molecularF...	C17H13FO4
chemicalCompound:moleculeId	568498
chemicalCompound:mwFreebase	300.281
chemicalCompound:alogp	3.455
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	74.59
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.086
chemicalCompound:acdLogP	3.652
chemicalCompound:acdLogD	0.141
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	300.281
chemicalCompound:chemblId	CHEMBL572473
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:668498
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:2920581