1282444

Source:http://linkedlifedata.com/resource/chembl/compound/1282444

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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/C22H17ClF3NO2S/c1-3-13(2)21(28)17-9-8-16(10-18(17)23)29-11-20-27-19(12-30-20)14-4-6-15(7-5-14)22(24,25)26/h4-10,12H,2-3,11H2,1H3
chemicalCompound:standardIn...	OQMNXYKBNFBDIW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(=C)C(=O)c1ccc(OCc2nc(cs2)c3ccc(cc3)C(F)(F)F)cc1Cl
chemicalCompound:molecularF...	C22H17ClF3NO2S
chemicalCompound:moleculeId	1282444
chemicalCompound:mwFreebase	451.889
chemicalCompound:alogp	6.939
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	67.43
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.669
chemicalCompound:acdLogD	4.669
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	451.889
chemicalCompound:acdMostBpk...	0.768
chemicalCompound:chemblId	CHEMBL1956918
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1382444
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:8059099, activity:8059122