465928

Source:http://linkedlifedata.com/resource/chembl/compound/465928

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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/C10H14N2O4S/c1-5-3-12(10(15)11-9(5)14)8-2-7(17)6(4-13)16-8/h3,6-8,13,17H,2,4H2,1H3,(H,11,14,15)/t6-,7+,8-/m1/s1
chemicalCompound:standardIn...	LNRCBWCMVHSMBJ-GJMOJQLCSA-N
chemicalCompound:canonicalS...	CC1=CN([C@H]2C[C@H](S)[C@@H](CO)O2)C(=O)NC1=O
chemicalCompound:molecularF...	C10H14N2O4S
chemicalCompound:moleculeId	465928
chemicalCompound:mwFreebase	258.294
chemicalCompound:alogp	-0.267
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	117.67
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.498
chemicalCompound:acdLogP	0.351
chemicalCompound:acdLogD	0.345
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	258.294
chemicalCompound:chemblId	CHEMBL465056
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:565928
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:377334, activity:377335, activity:377336, activity:377337, activity:377338, activity:377339, activity:2189381, activity:2189384