112121

Source:http://linkedlifedata.com/resource/chembl/compound/112121

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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/C11H16N3O7PS/c1-2-19-11(16)22(17,18)20-5-9-21-8(6-23-9)14-4-3-7(12)13-10(14)15/h3-4,8-9H,2,5-6H2,1H3,(H,17,18)(H2,12,13,15)
chemicalCompound:standardIn...	KPSFSKZFNZNTMH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)P(=O)(O)OCC1OC(CS1)N2C=CC(=NC2=O)N
chemicalCompound:molecularF...	C11 H16 N3 O7 P S
chemicalCompound:moleculeId	112121
chemicalCompound:mwFreebase	365.299
chemicalCompound:alogp	0
chemicalCompound:hba	10
chemicalCompound:hbd	2
chemicalCompound:psa	175.86
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	0.67
chemicalCompound:acdLogP	-0.481
chemicalCompound:acdLogD	-3.978
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	365.299
chemicalCompound:acdMostBpk...	4.179
chemicalCompound:chemblId	CHEMBL71404
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:212121
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:624239, activity:624240, activity:624241