90542

Source:http://linkedlifedata.com/resource/chembl/compound/90542

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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/C8H10IN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1
chemicalCompound:standardIn...	DPXBMYJQASAVRO-NTSWFWBYSA-N
chemicalCompound:canonicalS...	NC1=NC(=O)N(C=C1I)[C@@H]2CS[C@H](CO)O2
chemicalCompound:molecularF...	C8 H10 I N3 O3 S
chemicalCompound:moleculeId	90542
chemicalCompound:mwFreebase	355.153
chemicalCompound:alogp	-0.308
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	113.44
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.827
chemicalCompound:acdLogP	-0.05
chemicalCompound:acdLogD	-0.05
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	355.153
chemicalCompound:acdMostBpk...	2.533
chemicalCompound:chemblId	CHEMBL58809
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:190542
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:1147601, activity:1147602, activity:1147603