214081

Source:http://linkedlifedata.com/resource/chembl/compound/214081

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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/C22H17N5O5S/c1-13-10-11-23-22(24-13)27-33(31,32)16-8-6-15(7-9-16)25-26-18-12-14-4-2-3-5-17(14)19(20(18)28)21(29)30/h2-12,28H,1H3,(H,29,30)(H,23,24,27)/b26-25+
chemicalCompound:standardIn...	JZLPUVLJTQAKEQ-OCEACIFDSA-N
chemicalCompound:canonicalS...	Cc1ccnc(NS(=O)(=O)c2ccc(cc2)N=Nc3cc4ccccc4c(C(=O)O)c3O)n1
chemicalCompound:molecularF...	C22 H17 N5 O5 S
chemicalCompound:moleculeId	214081
chemicalCompound:mwFreebase	463.466
chemicalCompound:alogp	4.008
chemicalCompound:hba	9
chemicalCompound:hbd	3
chemicalCompound:psa	162.57
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.378
chemicalCompound:acdLogP	2.991
chemicalCompound:acdLogD	-1.065
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	463.466
chemicalCompound:chemblId	CHEMBL339463
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:314081
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:892073, activity:892074