369599

Source:http://linkedlifedata.com/resource/chembl/compound/369599

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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/C12H18N2O3/c13-6-1-7-14-12(17)5-3-9-2-4-10(15)11(16)8-9/h2,4,8,15-16H,1,3,5-7,13H2,(H,14,17)
chemicalCompound:standardIn...	BGQRRHSWGPCQOY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NCCCNC(=O)CCc1ccc(O)c(O)c1
chemicalCompound:molecularF...	C12 H18 N2 O3
chemicalCompound:moleculeId	369599
chemicalCompound:mwFreebase	238.283
chemicalCompound:alogp	0.278
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	95.58
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.78
chemicalCompound:acdLogP	0.049
chemicalCompound:acdLogD	-2.172
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	238.283
chemicalCompound:acdMostBpk...	9.835
chemicalCompound:chemblId	CHEMBL220952
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:469599
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:1807924, activity:1807925, activity:1807926, activity:1807927, activity:1807928, activity:1807929, activity:1807930, activity:1807931, activity:1807932, activity:1807933, activity:1807934, activity:1807935, activity:1807936, activity:1807937, activity:1807938, activity:1808002