911455

Source:http://linkedlifedata.com/resource/chembl/compound/911455

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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/C22H25NO6S/c1-13-6-4-7-14(12-13)29-11-5-8-17(24)23-20-19(22(26)28-3)18-15(21(25)27-2)9-10-16(18)30-20/h4,6-7,12,15H,5,8-11H2,1-3H3,(H,23,24)
chemicalCompound:standardIn...	FMMULICEBVUPKK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)C1CCc2sc(NC(=O)CCCOc3cccc(C)c3)c(C(=O)OC)c12
chemicalCompound:molecularF...	C22H25NO6S
chemicalCompound:moleculeId	911455
chemicalCompound:mwFreebase	431.502
chemicalCompound:alogp	3.484
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	119.17
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.699
chemicalCompound:acdLogP	4.225
chemicalCompound:acdLogD	4.225
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	431.502
chemicalCompound:chemblId	CHEMBL1487571
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1011455
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:3904846, activity:3952177, activity:3996300, activity:4012448, activity:4469139, activity:4514151, activity:5352379, activity:5521111, activity:5702105, activity:5795845, activity:6444240, activity:6603932, activity:6763763, activity:6845858, activity:7297954, activity:7399636