198281

Source:http://linkedlifedata.com/resource/chembl/compound/198281

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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/C13H17N5O5S/c1-7(19)21-3-9(4-22-8(2)20)23-6-18-5-15-10-11(18)16-13(14)17-12(10)24/h5,9H,3-4,6H2,1-2H3,(H3,14,16,17,24)
chemicalCompound:standardIn...	DRNOLAFSZXSWOW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)OCC(COC(=O)C)OCn1cnc2c(S)nc(N)nc12
chemicalCompound:molecularF...	C13 H17 N5 O5 S
chemicalCompound:moleculeId	198281
chemicalCompound:mwFreebase	355.37
chemicalCompound:alogp	0.204
chemicalCompound:hba	10
chemicalCompound:hbd	2
chemicalCompound:psa	170.25
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-1.351
chemicalCompound:acdLogP	0
chemicalCompound:acdLogD	-2.558
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	355.37
chemicalCompound:acdMostBpk...	9.757
chemicalCompound:chemblId	CHEMBL120612
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:298281
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:1292433