248741

Source:http://linkedlifedata.com/resource/chembl/compound/248741

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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/C22H24N2O5S/c1-13(2)11-16-9-10-17(19(12-16)22(25)26)18-7-5-6-8-20(18)30(27,28)24-21-14(3)15(4)23-29-21/h5-10,12-13,24H,11H2,1-4H3,(H,25,26)
chemicalCompound:standardIn...	IROSUCRDHRESHL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)Cc1ccc(c(c1)C(=O)O)c2ccccc2S(=O)(=O)Nc3onc(C)c3C
chemicalCompound:molecularF...	C22 H24 N2 O5 S
chemicalCompound:moleculeId	248741
chemicalCompound:mwFreebase	428.501
chemicalCompound:alogp	4.463
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	117.88
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.814
chemicalCompound:acdLogP	3.922
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	428.501
chemicalCompound:chemblId	CHEMBL149111
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:348741
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:789656, activity:789657, activity:789658