565730

Source:http://linkedlifedata.com/resource/chembl/compound/565730

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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/C20H21N7O4S/c1-21-13-19(28)26-9-7-25(8-10-26)14-11-17-15(22-12-14)5-6-27(17)32(29,30)18-4-2-3-16-20(18)24-31-23-16/h2-6,11-12,21H,7-10,13H2,1H3
chemicalCompound:standardIn...	HTBMQONCNMWJNN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNCC(=O)N1CCN(CC1)c2cnc3ccn(c3c2)S(=O)(=O)c4cccc5nonc45
chemicalCompound:molecularF...	C20H21N7O4S
chemicalCompound:moleculeId	565730
chemicalCompound:mwFreebase	455.49
chemicalCompound:alogp	1.177
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	134.84
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0
chemicalCompound:acdLogD	-1.109
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	455.49
chemicalCompound:acdMostBpk...	8.826
chemicalCompound:chemblId	CHEMBL564760
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:665730
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:2682416, activity:2682435, activity:2682449, activity:6345990