260013

Source:http://linkedlifedata.com/resource/chembl/compound/260013

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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/C14H17N3O6S/c1-3-21-4-5-22-13(19)12(18)16-14-15-10(8-24-14)11-6-9(7-20-2)17-23-11/h6,8H,3-5,7H2,1-2H3,(H,15,16,18)
chemicalCompound:standardIn...	BEVYLNCVTBRZPP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOCCOC(=O)C(=O)Nc1nc(cs1)c2onc(COC)c2
chemicalCompound:molecularF...	C14 H17 N3 O6 S
chemicalCompound:moleculeId	260013
chemicalCompound:mwFreebase	355.366
chemicalCompound:alogp	0.878
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	141.01
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.191
chemicalCompound:acdLogP	1.29
chemicalCompound:acdLogD	-0.684
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	355.366
chemicalCompound:chemblId	CHEMBL157845
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:360013
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:956769, activity:956770