1112531

Source:http://linkedlifedata.com/resource/chembl/compound/1112531

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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/C25H29N3O4S/c1-28(19-21-6-4-3-5-7-21)17-16-26-25(29)22-10-8-20(9-11-22)18-27-33(30,31)24-14-12-23(32-2)13-15-24/h3-15,27H,16-19H2,1-2H3,(H,26,29)
chemicalCompound:standardIn...	XAYUBJJWLVNUMR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)C(=O)NCCN(C)Cc3ccccc3
chemicalCompound:molecularF...	C25H29N3O4S
chemicalCompound:moleculeId	1112531
chemicalCompound:mwFreebase	467.58
chemicalCompound:alogp	3.238
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	96.11
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.463
chemicalCompound:acdLogP	2.357
chemicalCompound:acdLogD	1.485
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	467.58
chemicalCompound:acdMostBpk...	8.296
chemicalCompound:chemblId	CHEMBL1731800
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1212531
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:5409713, activity:5530672, activity:5538349, activity:5855512, activity:5860934, activity:5881635, activity:5973740