423138

Source:http://linkedlifedata.com/resource/chembl/compound/423138

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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:28675
chemicalCompound:standardIn...	InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1/i8-1
chemicalCompound:standardIn...	NENPYTRHICXVCS-FBBSVIGGSA-N
chemicalCompound:canonicalS...	CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1N[11C](=O)C)C(=O)O
chemicalCompound:molecularF...	C14 H24 N2 O4
chemicalCompound:moleculeId	423138
chemicalCompound:mwFreebase	284.351
chemicalCompound:alogp	-2.008
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	101.65
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.129
chemicalCompound:acdLogP	0.742
chemicalCompound:acdLogD	-1.775
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	283.341
chemicalCompound:acdMostBpk...	9.255
chemicalCompound:chemblId	CHEMBL252187
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:523138
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:2078474, activity:2078485, activity:2078486, activity:2078487, activity:2078488, activity:2078489, activity:2078490, activity:2078491, activity:2078492, activity:2078493, activity:2078495