485978

Source:http://linkedlifedata.com/resource/chembl/compound/485978

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1
chemicalCompound:standardIn...	QEFRNWWLZKMPFJ-YGVKFDHGSA-N
chemicalCompound:canonicalS...	C[S+]([O-])CC[C@H](N)C(=O)O
chemicalCompound:molecularF...	C5H11NO3S
chemicalCompound:moleculeId	485978
chemicalCompound:mwFreebase	165.211
chemicalCompound:alogp	-3.628
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	99.6
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	-5.137
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	165.211
chemicalCompound:acdMostBpk...	8.248
chemicalCompound:chemblId	CHEMBL445753
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:585978
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	METHIONINE SULFOXIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:17016
chemicalCompound:activity	activity:508335, activity:2338430