440799

Source:http://linkedlifedata.com/resource/chembl/compound/440799

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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/C20H21N3O5S/c1-12(2)11-28-20(25)13-3-8-18-16(9-13)17(19(24)23-18)10-22-14-4-6-15(7-5-14)29(21,26)27/h3-10,12,22H,11H2,1-2H3,(H,23,24)(H2,21,26,27)/b17-10-
chemicalCompound:standardIn...	FOTACNUKABBYFV-YVLHZVERSA-N
chemicalCompound:canonicalS...	CC(C)COC(=O)c1ccc2NC(=O)\C(=C/Nc3ccc(cc3)S(=O)(=O)N)\c2c1
chemicalCompound:molecularF...	C20H21N3O5S
chemicalCompound:moleculeId	440799
chemicalCompound:mwFreebase	415.463
chemicalCompound:alogp	1.824
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	135.96
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.04
chemicalCompound:acdLogP	2.235
chemicalCompound:acdLogD	2.234
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	415.463
chemicalCompound:chemblId	CHEMBL269883
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:540799
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:1176439, activity:1176440, activity:1176441, activity:1176442, activity:1176443, activity:1176444, activity:1176445, activity:1176446, activity:2110781, activity:2110841, activity:8078913, activity:8078914, activity:8080275, activity:8080276, activity:8080277, activity:8080278, activity:8080279, activity:8080280, activity:8080281, activity:8080282, activity:8080283, activity:8080284, activity:8080285, activity:8080286, activity:8080287, activity:8080288, activity:8080289, activity:8080290, activity:8080291, activity:8080292, activity:8080293, activity:8080294, activity:8080295, activity:8080296, activity:8080297, activity:8080298, activity:8080299, activity:8080300, activity:8080301, activity:8080302, activity:8080303, activity:8080304, activity:8080305, activity:8080306, activity:8080307, activity:8080308, activity:8080309, activity:8080310, activity:8080311, activity:8080312, activity:8080313, activity:8080314, activity:8080315, activity:8080316, activity:8080317, activity:8080318, activity:8080319, activity:8080320, activity:8080321, activity:8080322, activity:8080323, activity:8080324, activity:8080325, activity:8080326, activity:8080327, activity:8080328, activity:8080329