1079195

Source:http://linkedlifedata.com/resource/chembl/compound/1079195

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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/C22H15F3N2O2S/c23-22(24,25)16-12-10-15(11-13-16)14-20(30(28,29)17-6-2-1-3-7-17)21-26-18-8-4-5-9-19(18)27-21/h1-14H,(H,26,27)/b20-14-
chemicalCompound:standardIn...	GFNKOHYICHFZDD-ZHZULCJRSA-N
chemicalCompound:canonicalS...	FC(F)(F)c1ccc(\C=C(\c2nc3ccccc3[nH]2)/S(=O)(=O)c4ccccc4)cc1
chemicalCompound:molecularF...	C22H15F3N2O2S
chemicalCompound:moleculeId	1079195
chemicalCompound:mwFreebase	428.427
chemicalCompound:alogp	5.487
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	71.2
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.39
chemicalCompound:acdLogP	4.939
chemicalCompound:acdLogD	4.938
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	428.427
chemicalCompound:acdMostBpk...	4.029
chemicalCompound:chemblId	CHEMBL1698464
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1179195
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:5395413, activity:5409874, activity:5424651, activity:5573159, activity:6429201, activity:6722369, activity:6804568, activity:6869818, activity:7056349, activity:7272431, activity:7330347, activity:7540766, activity:8287542, activity:8995612, activity:9693732, activity:9778382, activity:9791521, activity:9987493, activity:10263235, activity:10306582, activity:10426859, activity:10433616, activity:10608062