911095

Source:http://linkedlifedata.com/resource/chembl/compound/911095

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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/C16H21NO8/c1-5-24-16(20)17-13(18)9-25-14(19)8-10-6-11(21-2)15(23-4)12(7-10)22-3/h6-7H,5,8-9H2,1-4H3,(H,17,18,20)
chemicalCompound:standardIn...	PADHEIZCLBAYPF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)NC(=O)COC(=O)Cc1cc(OC)c(OC)c(OC)c1
chemicalCompound:molecularF...	C16H21NO8
chemicalCompound:moleculeId	911095
chemicalCompound:mwFreebase	355.34
chemicalCompound:alogp	1.506
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	109.38
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.364
chemicalCompound:acdLogP	0.589
chemicalCompound:acdLogD	0.274
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	355.34
chemicalCompound:chemblId	CHEMBL1487211
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1011095
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:4129912, activity:4412152, activity:5004962, activity:5053622, activity:5870393, activity:6566281