167486

Source:http://linkedlifedata.com/resource/chembl/compound/167486

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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/C9H14N2O7S/c12-6(13)2-1-4(7(14)15)10-9(18)11-5(3-19)8(16)17/h4-5,19H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H2,10,11,18)/t4-,5-/m0/s1
chemicalCompound:standardIn...	YSSXJYWVWWFWMY-WHFBIAKZSA-N
chemicalCompound:canonicalS...	OC(=O)CC[C@H](NC(=O)N[C@@H](CS)C(=O)O)C(=O)O
chemicalCompound:molecularF...	C9 H14 N2 O7 S
chemicalCompound:moleculeId	167486
chemicalCompound:mwFreebase	294.282
chemicalCompound:alogp	-0.914
chemicalCompound:hba	8
chemicalCompound:hbd	6
chemicalCompound:psa	191.83
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.477
chemicalCompound:acdLogP	-0.914
chemicalCompound:acdLogD	-6.647
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	294.282
chemicalCompound:chemblId	CHEMBL103512
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:267486
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:401692