440844

Source:http://linkedlifedata.com/resource/chembl/compound/440844

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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/C18H18N4O3S/c1-11(2)10-12-4-3-5-15-16(12)17(18(23)20-15)22-21-13-6-8-14(9-7-13)26(19,24)25/h3-10,21H,1-2H3,(H2,19,24,25)(H,20,22,23)
chemicalCompound:standardIn...	ZBJSSXLSSOZYFR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=Cc1cccc2NC(=O)\C(=N/Nc3ccc(cc3)S(=O)(=O)N)\c12)C
chemicalCompound:molecularF...	C18H18N4O3S
chemicalCompound:moleculeId	440844
chemicalCompound:mwFreebase	370.426
chemicalCompound:alogp	2.635
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	122.03
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.488
chemicalCompound:acdLogP	3.067
chemicalCompound:acdLogD	3.051
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	370.426
chemicalCompound:chemblId	CHEMBL270544
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:540844
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:492435, activity:1176437, activity:1176438, activity:2110805, activity:2110864, activity:8089369, activity:8089370, activity:8089371, activity:8089372, activity:8089373, activity:8089374, activity:8089375, activity:8089376, activity:8089377, activity:8089378, activity:8089379, activity:8089380, activity:8089381, activity:8089382, activity:8089383, activity:8089384, activity:8089385, activity:8089386, activity:8089387, activity:8089388, activity:8089389, activity:8089390, activity:8089391, activity:8089392, activity:8089393, activity:8089394, activity:8089395, activity:8089396, activity:8089397, activity:8089398, activity:8089399, activity:8089400, activity:8089401, activity:8089402, activity:8089403, activity:8089404, activity:8089405, activity:8089406, activity:8089407, activity:8089408, activity:8089409, activity:8089410, activity:8089411, activity:8089412, activity:8089413, activity:8089414, activity:8089415, activity:8089416, activity:8089417, activity:8089418, activity:8089419, activity:8089420, activity:8089421, activity:8089422, activity:8089423, activity:8089424, activity:8089425, activity:8089426, activity:8089427, activity:8089428, activity:8089429, activity:8089430