117

Source:http://linkedlifedata.com/resource/chembl/compound/117

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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/C31H43N3O10/c1-10-31(2,3)32-30(37)44-18-21-17-33(28(35)19-13-22(38-4)26(42-8)23(14-19)39-5)11-12-34(21)29(36)20-15-24(40-6)27(43-9)25(16-20)41-7/h13-16,21H,10-12,17-18H2,1-9H3,(H,32,37)
chemicalCompound:standardIn...	LKBCROIQZFFNCS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(C)(C)NC(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3
chemicalCompound:molecularF...	C31 H43 N3 O10
chemicalCompound:moleculeId	117
chemicalCompound:mwFreebase	617.687
chemicalCompound:alogp	3.346
chemicalCompound:hba	10
chemicalCompound:hbd	1
chemicalCompound:psa	134.33
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.78
chemicalCompound:acdLogP	2.289
chemicalCompound:acdLogD	2.289
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	617.687
chemicalCompound:chemblId	CHEMBL266886
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100117
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:57052