982972

Source:http://linkedlifedata.com/resource/chembl/compound/982972

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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/C19H16F3N3O4S2/c1-29-13-6-4-12(5-7-13)23-17(26)8-10-31(27,28)18-24-14(15-3-2-9-30-15)11-16(25-18)19(20,21)22/h2-7,9,11H,8,10H2,1H3,(H,23,26)
chemicalCompound:standardIn...	RDFWRVCBJAXSBV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(NC(=O)CCS(=O)(=O)c2nc(cc(n2)C(F)(F)F)c3cccs3)cc1
chemicalCompound:molecularF...	C19H16F3N3O4S2
chemicalCompound:moleculeId	982972
chemicalCompound:mwFreebase	471.473
chemicalCompound:alogp	4.237
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	134.86
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.902
chemicalCompound:acdLogP	3.138
chemicalCompound:acdLogD	3.138
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	471.473
chemicalCompound:acdMostBpk...	1.226
chemicalCompound:chemblId	CHEMBL1559088
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1082972
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:3612162, activity:3813948, activity:4320799, activity:4663016, activity:4822595, activity:4858237, activity:4923030, activity:5540699, activity:6434654, activity:6794724, activity:6814298, activity:6987483, activity:7246367, activity:7344065, activity:7459360, activity:9778833