139918

Source:http://linkedlifedata.com/resource/chembl/compound/139918

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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/C12H9F3N2OS/c13-12(14,15)7-2-1-3-8(6-7)17-11(18)10-9(16-17)4-5-19-10/h1-3,6,18H,4-5H2
chemicalCompound:standardIn...	XQFODKIJLDAHQZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1c2SCCc2nn1c3cccc(c3)C(F)(F)F
chemicalCompound:molecularF...	C12 H9 F3 N2 O S
chemicalCompound:moleculeId	139918
chemicalCompound:mwFreebase	286.273
chemicalCompound:alogp	3.639
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	63.35
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.208
chemicalCompound:acdLogP	1.708
chemicalCompound:acdLogD	1.322
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	286.273
chemicalCompound:acdMostBpk...	2.432
chemicalCompound:chemblId	CHEMBL315316
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:239918
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:277790, activity:277791, activity:277792, activity:277793, activity:277794, activity:277795, activity:277796, activity:277797, activity:277798, activity:277799, activity:277800, activity:277801, activity:277802