700170

Source:http://linkedlifedata.com/resource/chembl/compound/700170

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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/C12H20N2O3/c1-14(13)8-7-9-5-6-10(15-2)12(17-4)11(9)16-3/h5-6H,7-8,13H2,1-4H3
chemicalCompound:standardIn...	LCBLAOMZANIXOA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(CCN(C)N)c(OC)c1OC
chemicalCompound:molecularF...	C12H20N2O3
chemicalCompound:moleculeId	700170
chemicalCompound:mwFreebase	240.299
chemicalCompound:alogp	1.076
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	56.95
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0
chemicalCompound:acdLogD	-0.447
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	240.299
chemicalCompound:acdMostBpk...	7.629
chemicalCompound:chemblId	CHEMBL1240957
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:800170
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:3431933, activity:3432338, activity:3432383