838426

Source:http://linkedlifedata.com/resource/chembl/compound/838426

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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/C17H17N5O4S/c1-13(23)14-2-6-16(7-3-14)26-11-10-19-27(24,25)17-8-4-15(5-9-17)22-12-18-20-21-22/h2-9,12,19H,10-11H2,1H3
chemicalCompound:standardIn...	NTWJJQMPEUOTGM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)c1ccc(OCCNS(=O)(=O)c2ccc(cc2)n3cnnn3)cc1
chemicalCompound:molecularF...	C17H17N5O4S
chemicalCompound:moleculeId	838426
chemicalCompound:mwFreebase	387.413
chemicalCompound:alogp	1
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	124.45
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.553
chemicalCompound:acdLogP	1.814
chemicalCompound:acdLogD	1.807
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	387.413
chemicalCompound:acdMostBpk...	0.188
chemicalCompound:chemblId	CHEMBL1414542
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:938426
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:4818732, activity:5457381, activity:5734797, activity:6921830