1282557

Source:http://linkedlifedata.com/resource/chembl/compound/1282557

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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/C22H16Cl2F3NO2S/c1-3-12(2)21(29)15-8-9-17(20(24)19(15)23)30-10-18-28-16(11-31-18)13-4-6-14(7-5-13)22(25,26)27/h4-9,11H,2-3,10H2,1H3
chemicalCompound:standardIn...	GEFXJWAKMFPWEA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(=C)C(=O)c1ccc(OCc2nc(cs2)c3ccc(cc3)C(F)(F)F)c(Cl)c1Cl
chemicalCompound:molecularF...	C22H16Cl2F3NO2S
chemicalCompound:moleculeId	1282557
chemicalCompound:mwFreebase	486.334
chemicalCompound:alogp	7.604
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	67.43
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	5.29
chemicalCompound:acdLogD	5.29
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	486.334
chemicalCompound:acdMostBpk...	0.722
chemicalCompound:chemblId	CHEMBL1957030
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1382557
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:8059105, activity:8059128