1309446

Source:http://linkedlifedata.com/resource/chembl/compound/1309446

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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/C16H12Cl2N2O5S2/c17-10-4-5-12(13(18)7-10)15-20(14(21)8-26-15)19-27(24,25)11-3-1-2-9(6-11)16(22)23/h1-7,15,19H,8H2,(H,22,23)
chemicalCompound:standardIn...	IBTOSTKIDLKSIR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)c1cccc(c1)S(=O)(=O)NN2C(SCC2=O)c3ccc(Cl)cc3Cl
chemicalCompound:molecularF...	C16H12Cl2N2O5S2
chemicalCompound:moleculeId	1309446
chemicalCompound:mwFreebase	447.313
chemicalCompound:alogp	3.157
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	137.45
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.603
chemicalCompound:acdLogP	4.284
chemicalCompound:acdLogD	0.852
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	447.313
chemicalCompound:chemblId	CHEMBL1988155
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1409446
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:8285354, activity:8288081, activity:8335249, activity:8350407, activity:8369357, activity:8385130, activity:8471121, activity:8504382, activity:8540407, activity:8555867, activity:8632434, activity:8692710, activity:8712787, activity:8736911, activity:8739588, activity:8841079, activity:8872081, activity:8892730, activity:9006619, activity:9021316, activity:9036018, activity:9126021, activity:9132700, activity:9224383, activity:9256845, activity:9267591, activity:9325527, activity:9399306, activity:9401935, activity:9485275, activity:9542506, activity:9658079, activity:9736715, activity:9751653, activity:9826116, activity:9856945, activity:9898368, activity:9928464, activity:9961060, activity:9980927, activity:9996337, activity:10115661, activity:10137178, activity:10175092, activity:10219228, activity:10252514, activity:10291791, activity:10298452, activity:10337948, activity:10408578, activity:10419644, activity:10533451, activity:10561302, activity:10637384, activity:10651998, activity:10698367, activity:10739878, activity:10762710