213105

Source:http://linkedlifedata.com/resource/chembl/compound/213105

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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/C23H20ClN5O3S2/c1-15-7-9-17(10-8-15)26-22(30)18-11-21(20(33)12-19(18)24)34(31,32)28-23-27-25-14-29(23)13-16-5-3-2-4-6-16/h2-12,14,33H,13H2,1H3,(H,26,30)(H,27,28)
chemicalCompound:standardIn...	UXSFOGVDRFWPSF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(NC(=O)c2cc(c(S)cc2Cl)S(=O)(=O)Nc3nncn3Cc4ccccc4)cc1
chemicalCompound:molecularF...	C23 H20 Cl N5 O3 S2
chemicalCompound:moleculeId	213105
chemicalCompound:mwFreebase	514.02
chemicalCompound:alogp	4.307
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	153.15
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.022
chemicalCompound:acdLogP	4.957
chemicalCompound:acdLogD	1.084
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	514.02
chemicalCompound:acdMostBpk...	3.75
chemicalCompound:chemblId	CHEMBL130134
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:313105
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:870028, activity:870029