1086472

Source:http://linkedlifedata.com/resource/chembl/compound/1086472

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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/C16H13F4NO2S/c1-23-14-7-10(3-5-13(14)22)15(24)21-8-9-2-4-12(17)11(6-9)16(18,19)20/h2-7,22H,8H2,1H3,(H,21,24)
chemicalCompound:standardIn...	PXPZPGMYQSIVAG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(ccc1O)C(=S)NCc2ccc(F)c(c2)C(F)(F)F
chemicalCompound:molecularF...	C16H13F4NO2S
chemicalCompound:moleculeId	1086472
chemicalCompound:mwFreebase	359.339
chemicalCompound:alogp	4.604
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	73.58
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.924
chemicalCompound:acdLogP	4.053
chemicalCompound:acdLogD	4.036
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	359.339
chemicalCompound:acdMostBpk...	0.986
chemicalCompound:chemblId	CHEMBL1705741
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1186472
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:5419683, activity:5569168, activity:5652862, activity:6566135