705951

Source:http://linkedlifedata.com/resource/chembl/compound/705951

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:789
chemicalCompound:standardIn...	InChI=1S/C15H25NO3.C4H6O6/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-1(3(7)8)2(6)4(9)10/h4-7,12,14,16-17H,8-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)
chemicalCompound:standardIn...	WPTKISQJQVFSQI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COCCc1ccc(OCC(O)CNC(C)C)cc1.OC(C(O)C(=O)O)C(=O)O
chemicalCompound:molecularF...	C19H31NO9
chemicalCompound:moleculeId	705951
chemicalCompound:mwFreebase	267.364
chemicalCompound:alogp	1.757
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	50.72
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.891
chemicalCompound:acdLogP	1.632
chemicalCompound:acdLogD	-0.47
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	417.451
chemicalCompound:acdMostBpk...	9.434
chemicalCompound:chemblId	CHEMBL1256957
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:805951
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:3490141, activity:3490142, activity:3926897, activity:7059756