213045

Source:http://linkedlifedata.com/resource/chembl/compound/213045

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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/C16H16ClN5O2S2/c1-9-3-5-11(6-4-9)18-15-19-16(21-20-15)22-26(23,24)14-7-10(2)12(17)8-13(14)25/h3-8,25H,1-2H3,(H3,18,19,20,21,22)
chemicalCompound:standardIn...	CYIGQYFUSLAKHN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(Nc2n[nH]c(NS(=O)(=O)c3cc(C)c(Cl)cc3S)n2)cc1
chemicalCompound:molecularF...	C16 H16 Cl N5 O2 S2
chemicalCompound:moleculeId	213045
chemicalCompound:mwFreebase	409.914
chemicalCompound:alogp	4.05
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	146.94
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.189
chemicalCompound:acdLogP	4.448
chemicalCompound:acdLogD	0.592
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	409.914
chemicalCompound:acdMostBpk...	4.703
chemicalCompound:chemblId	CHEMBL128177
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:313045
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:888441, activity:888442, activity:8236112, activity:8325624, activity:8354185, activity:8399899, activity:8433306, activity:8444185, activity:8490918, activity:8528576, activity:8580419, activity:8585213, activity:8587165, activity:8686181, activity:8772322, activity:8774821, activity:8802508, activity:8808869, activity:8907499, activity:8928030, activity:8975248, activity:8991078, activity:9015543, activity:9101399, activity:9112294, activity:9187967, activity:9213083, activity:9291653, activity:9310089, activity:9324881, activity:9370775, activity:9443279, activity:9454516, activity:9521448, activity:9535706, activity:9689458, activity:9749570, activity:9781142, activity:9816479, activity:9891619, activity:9925464, activity:9963076, activity:9982980, activity:10028741, activity:10082644, activity:10165935, activity:10180696, activity:10208272, activity:10253909, activity:10260790, activity:10289141, activity:10368130, activity:10413856, activity:10429329, activity:10483878, activity:10542259, activity:10595080, activity:10671181, activity:10708705, activity:10728896, activity:10779631, activity:10815932