353821

Source:http://linkedlifedata.com/resource/chembl/compound/353821

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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/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m1/s1
chemicalCompound:standardIn...	WTDRDQBEARUVNC-ZCFIWIBFSA-N
chemicalCompound:canonicalS...	N[C@H](Cc1ccc(O)c(O)c1)C(=O)O
chemicalCompound:molecularF...	C9H11NO4
chemicalCompound:moleculeId	353821
chemicalCompound:mwFreebase	197.188
chemicalCompound:alogp	-2.089
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	103.78
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.24
chemicalCompound:acdLogP	-1.154
chemicalCompound:acdLogD	-3.667
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	197.188
chemicalCompound:acdMostBpk...	8.852
chemicalCompound:chemblId	CHEMBL211670
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:453821
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:49169
chemicalCompound:activity	activity:1759489, activity:1759490, activity:1759491, activity:1902645, activity:1902662, activity:1902679, activity:1902696, activity:2017304, activity:2017320, activity:2032248, activity:2032264, activity:2032280, activity:2143086, activity:2143103, activity:2143120, activity:2143137, activity:2271833, activity:2271834, activity:2271835, activity:2566141, activity:2566142, activity:2566143, activity:2566144, activity:2593045, activity:2593062, activity:2593080, activity:2593098, activity:2593116, activity:2593134, activity:2630969, activity:2630987, activity:3094085, activity:3094086, activity:3127540, activity:3127541, activity:3127542, activity:3127543, activity:3212641, activity:3212660, activity:3212679, activity:3212698, activity:3616504, activity:3693013, activity:3693035, activity:3693170, activity:3694349, activity:3720424, activity:3759369, activity:3798969, activity:3799004, activity:3929192, activity:3930545, activity:3941327, activity:3959133, activity:4020853, activity:4038187, activity:4039836, activity:4069550, activity:4165365, activity:4385531, activity:4506485, activity:4506804, activity:4574748, activity:4605775, activity:4715442