91488

Source:http://linkedlifedata.com/resource/chembl/compound/91488

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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/C8H9BrN2O4S/c9-4-1-11(8(14)10-7(4)13)5-3-16-6(2-12)15-5/h1,5-6,12H,2-3H2,(H,10,13,14)/t5-,6+/m0/s1
chemicalCompound:standardIn...	GMHAMEKOPZZEBD-NTSWFWBYSA-N
chemicalCompound:canonicalS...	OC[C@@H]1O[C@@H](CS1)N2C=C(Br)C(=O)NC2=O
chemicalCompound:molecularF...	C8 H9 Br N2 O4 S
chemicalCompound:moleculeId	91488
chemicalCompound:mwFreebase	309.137
chemicalCompound:alogp	-0.192
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	104.17
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	7.613
chemicalCompound:acdLogP	1.628
chemicalCompound:acdLogD	1.423
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	309.137
chemicalCompound:chemblId	CHEMBL60858
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:191488
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:1156387, activity:1156388, activity:1156389