939001

Source:http://linkedlifedata.com/resource/chembl/compound/939001

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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/C19H28N2O3/c1-23-17-6-4-3-5-16(17)15-20-11-7-19(8-12-20)9-13-21(14-10-19)18(22)24-2/h3-6H,7-15H2,1-2H3
chemicalCompound:standardIn...	JDMJYQWCTZJELL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)N1CCC2(CCN(Cc3ccccc3OC)CC2)CC1
chemicalCompound:molecularF...	C19H28N2O3
chemicalCompound:moleculeId	939001
chemicalCompound:mwFreebase	332.437
chemicalCompound:alogp	2.662
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	42.01
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.772
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	332.437
chemicalCompound:acdMostBpk...	9.265
chemicalCompound:chemblId	CHEMBL1515117
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1039001
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:4852243, activity:4978122, activity:5988050, activity:5991604, activity:6022664, activity:6023549, activity:6025937