111883

Source:http://linkedlifedata.com/resource/chembl/compound/111883

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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/C21H23N3O2S/c1-15-17(10-5-6-12-22-21(26)19-11-7-13-27-19)24-20(25)18(23-15)14-16-8-3-2-4-9-16/h2-4,7-9,11,13H,5-6,10,12,14H2,1H3,(H,22,26)(H,24,25)
chemicalCompound:standardIn...	JOSRKYFXDORRGB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1nc(Cc2ccccc2)c(O)nc1CCCCNC(=O)c3cccs3
chemicalCompound:molecularF...	C21 H23 N3 O2 S
chemicalCompound:moleculeId	111883
chemicalCompound:mwFreebase	381.491
chemicalCompound:alogp	4.075
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	103.35
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.875
chemicalCompound:acdLogD	2.052
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	381.491
chemicalCompound:acdMostBpk...	9.214
chemicalCompound:chemblId	CHEMBL69014
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:211883
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:533431, activity:533432, activity:533433, activity:533434, activity:533435, activity:533436