159432

Source:http://linkedlifedata.com/resource/chembl/compound/159432

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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/C11H12N4O7S3/c12-24(18,19)11-14-13-10(23-11)15-25(20,21)8-3-1-7(2-4-8)9(17)22-6-5-16/h1-4,16H,5-6H2,(H,13,15)(H2,12,18,19)
chemicalCompound:standardIn...	VLRGJZDVGRNUEG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)C(=O)OCCO)s1
chemicalCompound:molecularF...	C11 H12 N4 O7 S3
chemicalCompound:moleculeId	159432
chemicalCompound:mwFreebase	408.431
chemicalCompound:alogp	-0.646
chemicalCompound:hba	9
chemicalCompound:hbd	3
chemicalCompound:psa	223.63
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.761
chemicalCompound:acdLogP	0.17
chemicalCompound:acdLogD	-1.901
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	408.431
chemicalCompound:chemblId	CHEMBL98877
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:259432
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:130719, activity:130720, activity:130721