214080

Source:http://linkedlifedata.com/resource/chembl/compound/214080

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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/C16H13ClN6O2S2/c1-8-6-13(12(26)7-9(8)17)27(24,25)22-16-21-14(18)20-15-19-10-4-2-3-5-11(10)23(15)16/h2-7,26H,1H3,(H3,18,19,20,21,22)
chemicalCompound:standardIn...	PAVXKKGBFDTMOF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(c(S)cc1Cl)S(=O)(=O)Nc2nc(N)nc3nc4ccccc4n23
chemicalCompound:molecularF...	C16 H13 Cl N6 O2 S2
chemicalCompound:moleculeId	214080
chemicalCompound:mwFreebase	420.896
chemicalCompound:alogp	4.139
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	162.44
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.142
chemicalCompound:acdLogP	4.023
chemicalCompound:acdLogD	0.151
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	420.896
chemicalCompound:acdMostBpk...	5.363
chemicalCompound:chemblId	CHEMBL433666
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:314080
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:867486, activity:867487