518939

Source:http://linkedlifedata.com/resource/chembl/compound/518939

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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/C18H12F5N3OS/c19-13-5-4-10(6-14(13)20)8-24-15-9-28-26-16(15)17(27)25-12-3-1-2-11(7-12)18(21,22)23/h1-7,9,24H,8H2,(H,25,27)
chemicalCompound:standardIn...	UBHMADNCGMKZSP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(CNc2csnc2C(=O)Nc3cccc(c3)C(F)(F)F)cc1F
chemicalCompound:molecularF...	C18H12F5N3OS
chemicalCompound:moleculeId	518939
chemicalCompound:mwFreebase	413.364
chemicalCompound:alogp	4.801
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	82.26
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.591
chemicalCompound:acdLogP	5.536
chemicalCompound:acdLogD	5.535
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	413.364
chemicalCompound:acdMostBpk...	2.003
chemicalCompound:chemblId	CHEMBL518204
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:618939
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:2602387, activity:2602419, activity:2602451, activity:2602496, activity:2602525, activity:2602554, activity:2602583, activity:2602612, activity:2602641, activity:2602670, activity:2602699, activity:2602728, activity:2602757, activity:2602786, activity:2602815, activity:2602844, activity:2602873, activity:2602902, activity:2602931, activity:2602960, activity:2602989