33599

Source:http://linkedlifedata.com/resource/chembl/compound/33599

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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/C15H9ClFNO5S/c16-13-11(23-7-12(19)20)6-5-9-14(18-24(21,22)15(9)13)8-3-1-2-4-10(8)17/h1-6H,7H2,(H,19,20)
chemicalCompound:standardIn...	BBVAYSQTQFYBOX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)COc1ccc2C(=NS(=O)(=O)c2c1Cl)c3ccccc3F
chemicalCompound:molecularF...	C15 H9 Cl F N O5 S
chemicalCompound:moleculeId	33599
chemicalCompound:mwFreebase	369.752
chemicalCompound:alogp	2.504
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	101.41
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.766
chemicalCompound:acdLogP	2.25
chemicalCompound:acdLogD	-1.447
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	369.752
chemicalCompound:chemblId	CHEMBL277872
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:133599
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:744655