42020

Source:http://linkedlifedata.com/resource/chembl/compound/42020

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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/C8H10FNO3/c9-5-2-7(12)6(11)1-4(5)8(13)3-10/h1-2,8,11-13H,3,10H2
chemicalCompound:standardIn...	SBUQBFTXTZSRMH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NCC(O)c1cc(O)c(O)cc1F
chemicalCompound:molecularF...	C8 H10 F N O3
chemicalCompound:moleculeId	42020
chemicalCompound:mwFreebase	187.168
chemicalCompound:alogp	0.146
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	86.71
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.871
chemicalCompound:acdLogP	-0.59
chemicalCompound:acdLogD	-1.768
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	187.168
chemicalCompound:acdMostBpk...	7.926
chemicalCompound:chemblId	CHEMBL281232
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:142020
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:830695, activity:830696, activity:830697, activity:830698, activity:867892, activity:867893, activity:867894, activity:908314, activity:908315, activity:908316, activity:908317, activity:908318, activity:908319, activity:1000836, activity:1000837, activity:1000838, activity:1000839, activity:1000840, activity:1000841, activity:5507864, activity:5570222, activity:5570847, activity:5572975, activity:5719770, activity:5775091, activity:5778230, activity:5786992, activity:5978809, activity:5982978, activity:6429195, activity:6813379, activity:6838822, activity:7052103, activity:7072912