1041275

Source:http://linkedlifedata.com/resource/chembl/compound/1041275

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C20H24ClN3O5S/c1-28-18-5-3-2-4-17(18)23-30(26,27)19-14-15(6-7-16(19)21)20(25)22-8-9-24-10-12-29-13-11-24/h2-7,14,23H,8-13H2,1H3,(H,22,25)
chemicalCompound:standardIn...	BMCWYGUNKFQGTI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccccc1NS(=O)(=O)c2cc(ccc2Cl)C(=O)NCCN3CCOCC3
chemicalCompound:molecularF...	C20H24ClN3O5S
chemicalCompound:moleculeId	1041275
chemicalCompound:mwFreebase	453.94
chemicalCompound:alogp	2
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	105.35
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.939
chemicalCompound:acdLogP	0.982
chemicalCompound:acdLogD	0.824
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	453.94
chemicalCompound:acdMostBpk...	6.427
chemicalCompound:chemblId	CHEMBL1618324
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1141275
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No