1019844

Source:http://linkedlifedata.com/resource/chembl/compound/1019844

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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/C12H23N3O2/c1-2-15-9-5-3-7-11(13-16)12(14-17)8-4-6-10-15/h16-17H,2-10H2,1H3/b13-11-,14-12-
chemicalCompound:standardIn...	RAKNVXNDFBGSEL-XSYHWHKQSA-N
chemicalCompound:canonicalS...	CCN1CCCC\C(=N\O)\C(=N/O)\CCCC1
chemicalCompound:molecularF...	C12H23N3O2
chemicalCompound:moleculeId	1019844
chemicalCompound:mwFreebase	241.33
chemicalCompound:alogp	1.998
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	68.42
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.975
chemicalCompound:acdLogP	1.98
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	241.33
chemicalCompound:acdMostBpk...	9.416
chemicalCompound:chemblId	CHEMBL1595960
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1119844
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:4969923, activity:5988282, activity:5995602, activity:6012193, activity:6062171, activity:6065367