594951

Source:http://linkedlifedata.com/resource/chembl/compound/594951

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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/C11H21NO2/c1-2-3-9-4-5-11(6-9,8-12)7-10(13)14/h9H,2-8,12H2,1H3,(H,13,14)/t9-,11?/m0/s1
chemicalCompound:standardIn...	QIVCCEZFEVOXGN-FTNKSUMCSA-N
chemicalCompound:canonicalS...	CCC[C@H]1CCC(CN)(CC(=O)O)C1
chemicalCompound:molecularF...	C11H21NO2
chemicalCompound:moleculeId	594951
chemicalCompound:mwFreebase	199.29
chemicalCompound:alogp	-0.778
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	63.32
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.725
chemicalCompound:acdLogP	2.11
chemicalCompound:acdLogD	-0.391
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	199.29
chemicalCompound:acdMostBpk...	10.271
chemicalCompound:chemblId	CHEMBL593176
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:694951
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:3077070