441192

Source:http://linkedlifedata.com/resource/chembl/compound/441192

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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/C17H13N5O3S/c18-26(24,25)11-5-3-10(4-6-11)21-22-16-15-12-2-1-9-19-13(12)7-8-14(15)20-17(16)23/h1-9,21H,(H2,18,24,25)(H,20,22,23)
chemicalCompound:standardIn...	KFUHNOUIIKZZNO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NS(=O)(=O)c1ccc(N\N=C\2/C(=O)Nc3ccc4ncccc4c23)cc1
chemicalCompound:molecularF...	C17H13N5O3S
chemicalCompound:moleculeId	441192
chemicalCompound:mwFreebase	367.382
chemicalCompound:alogp	1.421
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	134.92
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.216
chemicalCompound:acdLogP	1.514
chemicalCompound:acdLogD	1.111
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	367.382
chemicalCompound:acdMostBpk...	4.522
chemicalCompound:chemblId	CHEMBL409892
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:541192
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:1160478, activity:1160479, activity:1160480, activity:1160481, activity:1160482, activity:1160483, activity:1160484, activity:1160485, activity:2110759, activity:2110819, activity:8084191, activity:8084192, activity:8084193, activity:8084194, activity:8084195, activity:8084196, activity:8084197, activity:8084198, activity:8084199, activity:8084200, activity:8084201, activity:8084202, activity:8084203, activity:8084204, activity:8084205, activity:8084206, activity:8084207, activity:8084208, activity:8084209, activity:8084210, activity:8084211, activity:8084212, activity:8084213, activity:8084214, activity:8084215, activity:8084216, activity:8084217, activity:8084218, activity:8084219, activity:8084220, activity:8084221, activity:8084222, activity:8084223, activity:8084224, activity:8084225, activity:8084226, activity:8084227, activity:8084228, activity:8084229, activity:8084230, activity:8084231, activity:8084232, activity:8084233, activity:8084234, activity:8084235, activity:8084236, activity:8084237, activity:8084238, activity:8084239, activity:8084240, activity:8084241, activity:8084242, activity:8084243, activity:8084244, activity:8084245, activity:8084246