857757

Source:http://linkedlifedata.com/resource/chembl/compound/857757

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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/C26H34N2O4S/c1-5-7-15-28(16-8-6-2)33(30,31)22-13-14-24-23(17-22)20(4)25(32-24)26(29)27-18-21-11-9-19(3)10-12-21/h9-14,17H,5-8,15-16,18H2,1-4H3,(H,27,29)
chemicalCompound:standardIn...	FPBFMJGXAGFPKK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCN(CCCC)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccc(C)cc3)c(C)c2c1
chemicalCompound:molecularF...	C26H34N2O4S
chemicalCompound:moleculeId	857757
chemicalCompound:mwFreebase	470.624
chemicalCompound:alogp	5.963
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	88
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.474
chemicalCompound:acdLogP	6.051
chemicalCompound:acdLogD	6.051
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	470.624
chemicalCompound:chemblId	CHEMBL1433873
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:957757
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:3621588, activity:4865868, activity:5536791, activity:6657488, activity:7049186