701260

Source:http://linkedlifedata.com/resource/chembl/compound/701260

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:701260_BAY-384766_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C23H27N3O4S/c1-23(2,15-27)22(28)24-16-11-13-17(14-12-16)25-31(29,30)21-10-6-7-18-19(21)8-5-9-20(18)26(3)4/h5-14,25,27H,15H2,1-4H3,(H,24,28)
chemicalCompound:standardIn...	OSQAKHSYTKBSPB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3
chemicalCompound:molecularF...	C23H27N3O4S
chemicalCompound:moleculeId	701260
chemicalCompound:mwFreebase	441.543
chemicalCompound:alogp	2.964
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	107.12
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.955
chemicalCompound:acdLogP	2.803
chemicalCompound:acdLogD	2.794
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	441.543
chemicalCompound:acdMostBpk...	3.622
chemicalCompound:chemblId	CHEMBL1242035
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:801260
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:3454597, activity:3454600