1174756

Source:http://linkedlifedata.com/resource/chembl/compound/1174756

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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/C22H29FN2O2S/c1-16(2)12-18-5-7-19(8-6-18)14-25-11-10-21(15-25)24-28(26,27)22-13-20(23)9-4-17(22)3/h4-9,13,16,21,24H,10-12,14-15H2,1-3H3
chemicalCompound:standardIn...	CTIUWAMAQKFYBW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)Cc1ccc(CN2CCC(C2)NS(=O)(=O)c3cc(F)ccc3C)cc1
chemicalCompound:molecularF...	C22H29FN2O2S
chemicalCompound:moleculeId	1174756
chemicalCompound:mwFreebase	404.541
chemicalCompound:alogp	4.715
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	57.79
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.632
chemicalCompound:acdLogP	4.12
chemicalCompound:acdLogD	3.092
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	404.541
chemicalCompound:acdMostBpk...	8.202
chemicalCompound:chemblId	CHEMBL1824653
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1274756
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:6342381, activity:6342386, activity:6342390, activity:6342394, activity:6342398, activity:6342402, activity:6343350, activity:6343354, activity:6343358, activity:6343362, activity:6343366, activity:6343370, activity:6343374, activity:6343378, activity:6343381, activity:6343384, activity:6343387, activity:6343391