220261

Source:http://linkedlifedata.com/resource/chembl/compound/220261

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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/C8H15NO6/c1-3(11)9-8-7(14)6(13)5(12)4(2-10)15-8/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1
chemicalCompound:standardIn...	IBONACLSSOLHFU-JAJWTYFOSA-N
chemicalCompound:canonicalS...	CC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
chemicalCompound:molecularF...	C8H15NO6
chemicalCompound:moleculeId	220261
chemicalCompound:mwFreebase	221.208
chemicalCompound:alogp	-2.782
chemicalCompound:hba	6
chemicalCompound:hbd	5
chemicalCompound:psa	119.25
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.959
chemicalCompound:acdLogP	-2.703
chemicalCompound:acdLogD	-2.703
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	221.208
chemicalCompound:chemblId	CHEMBL335315
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:320261
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:1046398, activity:2466500, activity:2684181, activity:3101150, activity:3300100, activity:8020951