319607

Source:http://linkedlifedata.com/resource/chembl/compound/319607

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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/C17H23N5O2S2/c1-14-6-8-15(9-7-14)26(23,24)20-11-5-3-2-4-10-18-16-21-25-17-19-12-13-22(16)17/h6-9,12-13,20H,2-5,10-11H2,1H3,(H,18,21)
chemicalCompound:standardIn...	XWNIGYVLQLWABJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)S(=O)(=O)NCCCCCCNc2nsc3nccn23
chemicalCompound:molecularF...	C17 H23 N5 O2 S2
chemicalCompound:moleculeId	319607
chemicalCompound:mwFreebase	393.527
chemicalCompound:alogp	2.632
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	125.01
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.795
chemicalCompound:acdLogP	3.112
chemicalCompound:acdLogD	3.112
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	393.527
chemicalCompound:acdMostBpk...	5.269
chemicalCompound:chemblId	CHEMBL189379
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:419607
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:1499663