84643

Source:http://linkedlifedata.com/resource/chembl/compound/84643

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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/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)
chemicalCompound:standardIn...	XUJNEKJLAYXESH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(CS)C(=O)O
chemicalCompound:molecularF...	C3 H7 N O2 S
chemicalCompound:moleculeId	84643
chemicalCompound:mwFreebase	121.158
chemicalCompound:alogp	-3.078
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	102.12
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.069
chemicalCompound:acdLogP	0.085
chemicalCompound:acdLogD	-2.441
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	121.158
chemicalCompound:acdMostBpk...	11.048
chemicalCompound:chemblId	CHEMBL54943
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:184643
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	CYSTEINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:15356
chemicalCompound:activity	activity:596054, activity:596055, activity:596056, activity:596057, activity:596058, activity:596059, activity:596060, activity:596061, activity:596062, activity:596063, activity:596064, activity:596065, activity:1434874, activity:1434875, activity:1617501, activity:1618024, activity:3642456, activity:3929456, activity:4387709, activity:5726915, activity:6425180, activity:6798339, activity:7006104, activity:7192287, activity:7307574, activity:7984144, activity:10406320