29596

Source:http://linkedlifedata.com/resource/chembl/compound/29596

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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/C17H14N2O5S/c18-25(22,23)13-7-5-11(6-8-13)10-19-16(20)14-9-12-3-1-2-4-15(12)24-17(14)21/h1-9H,10H2,(H,19,20)(H2,18,22,23)
chemicalCompound:standardIn...	XFYVUTWRZYOMNA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NS(=O)(=O)c1ccc(CNC(=O)C2=Cc3ccccc3OC2=O)cc1
chemicalCompound:molecularF...	C17H14N2O5S
chemicalCompound:moleculeId	29596
chemicalCompound:mwFreebase	358.368
chemicalCompound:alogp	1.356
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	123.94
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.062
chemicalCompound:acdLogP	0.84
chemicalCompound:acdLogD	0.839
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	358.368
chemicalCompound:chemblId	CHEMBL23744
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:129596
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:539226, activity:539227, activity:539228, activity:539229, activity:539230, activity:2486779, activity:2486814