1174531

Source:http://linkedlifedata.com/resource/chembl/compound/1174531

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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/C21H27FN2O3S/c1-15(2)27-20-8-5-17(6-9-20)13-24-11-10-19(14-24)23-28(25,26)21-12-18(22)7-4-16(21)3/h4-9,12,15,19,23H,10-11,13-14H2,1-3H3
chemicalCompound:standardIn...	PTJKAHCUUOORPC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)Oc1ccc(CN2CCC(C2)NS(=O)(=O)c3cc(F)ccc3C)cc1
chemicalCompound:molecularF...	C21H27FN2O3S
chemicalCompound:moleculeId	1174531
chemicalCompound:mwFreebase	406.514
chemicalCompound:alogp	3.774
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	67.02
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.615
chemicalCompound:acdLogP	2.972
chemicalCompound:acdLogD	1.731
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	406.514
chemicalCompound:acdMostBpk...	8.431
chemicalCompound:chemblId	CHEMBL1824430
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1274531
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:6343380, activity:6343383, activity:6343386, activity:6343395