213690

Source:http://linkedlifedata.com/resource/chembl/compound/213690

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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/C21H14Cl2FN5O3S2/c22-12-1-5-14(6-2-12)26-20(30)16-9-19(18(33)10-17(16)23)34(31,32)28-21-27-25-11-29(21)15-7-3-13(24)4-8-15/h1-11,33H,(H,26,30)(H,27,28)
chemicalCompound:standardIn...	BLQIVFFECKDLSX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(cc1)n2cnnc2NS(=O)(=O)c3cc(C(=O)Nc4ccc(Cl)cc4)c(Cl)cc3S
chemicalCompound:molecularF...	C21 H14 Cl2 F N5 O3 S2
chemicalCompound:moleculeId	213690
chemicalCompound:mwFreebase	538.402
chemicalCompound:alogp	4.684
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	153.15
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.293
chemicalCompound:acdLogP	4.204
chemicalCompound:acdLogD	0.212
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	538.402
chemicalCompound:acdMostBpk...	0.346
chemicalCompound:chemblId	CHEMBL128231
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:313690
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:867490, activity:867491