153113

Source:http://linkedlifedata.com/resource/chembl/compound/153113

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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/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
chemicalCompound:standardIn...	JINJZWSZQKHCIP-UFGQHTETSA-N
chemicalCompound:canonicalS...	CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(=O)O
chemicalCompound:molecularF...	C11H17NO8
chemicalCompound:moleculeId	153113
chemicalCompound:mwFreebase	291.255
chemicalCompound:alogp	-2.972
chemicalCompound:hba	8
chemicalCompound:hbd	6
chemicalCompound:psa	156.55
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.898
chemicalCompound:acdLogP	-2.394
chemicalCompound:acdLogD	-5.803
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	291.255
chemicalCompound:chemblId	CHEMBL96712
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:253113
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	NEU5AC2EN
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:28062
chemicalCompound:activity	activity:556748, activity:556749, activity:1044605, activity:1044606, activity:1096880, activity:1205865, activity:2019843, activity:2211484, activity:2449981, activity:2684023, activity:2684024, activity:2684025, activity:2684026, activity:3239138, activity:3260028, activity:3341389, activity:3527775, activity:3539813, activity:3539814, activity:3539815, activity:3539816, activity:3539817, activity:3539818, activity:3539819, activity:3539820, activity:3591556, activity:3591561, activity:3591562, activity:3591563, activity:6163368, activity:6195710, activity:6195722