498275

Source:http://linkedlifedata.com/resource/chembl/compound/498275

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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/C12H9NO4S/c14-10-7-3-1-2-4-8(7)11(15)12-9(10)13-5-6-18(12,16)17/h1-4,13H,5-6H2
chemicalCompound:standardIn...	SSICNPWKJXVPBL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C1C2=C(C(=O)c3ccccc13)S(=O)(=O)CCN2
chemicalCompound:molecularF...	C12H9NO4S
chemicalCompound:moleculeId	498275
chemicalCompound:mwFreebase	263.269
chemicalCompound:alogp	0.041
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	88.69
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.238
chemicalCompound:acdLogD	1.238
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	263.269
chemicalCompound:chemblId	CHEMBL500348
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:598275
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:2407248, activity:2407255, activity:2407271, activity:2407279, activity:2472159, activity:2472182, activity:2472919, activity:2472943, activity:2472967, activity:2472991, activity:2473015