928585

Source:http://linkedlifedata.com/resource/chembl/compound/928585

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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/C17H10F6N4O3S/c18-16(19,20)15(17(21,22)23,25-13(28)9-4-2-1-3-5-9)26-14-24-11-7-6-10(27(29)30)8-12(11)31-14/h1-8H,(H,24,26)(H,25,28)
chemicalCompound:standardIn...	RVALRXZLYFQZGR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1ccc2nc(NC(NC(=O)c3ccccc3)(C(F)(F)F)C(F)(F)F)sc2c1
chemicalCompound:molecularF...	C17H10F6N4O3S
chemicalCompound:moleculeId	928585
chemicalCompound:mwFreebase	464.342
chemicalCompound:alogp	4.735
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	128.08
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.316
chemicalCompound:acdLogP	9.631
chemicalCompound:acdLogD	9.624
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	464.342
chemicalCompound:chemblId	CHEMBL1504701
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1028585
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:3642492, activity:3657697, activity:3692712, activity:3699685, activity:3735942, activity:3761366, activity:3771272, activity:3819871, activity:3846843, activity:3890710, activity:3952513, activity:4090175, activity:4254849, activity:4340777, activity:4407528, activity:4414106, activity:4452652, activity:4475677, activity:4705764, activity:4716838, activity:4758945, activity:4771449, activity:4847683, activity:4905666, activity:4907596, activity:4917125, activity:4956024, activity:4974098, activity:5365103, activity:5416958, activity:5444180, activity:5593119, activity:5657503, activity:5712619, activity:5856974, activity:5861183, activity:5879575, activity:5893656, activity:6468322, activity:6471606, activity:6762219, activity:6888285, activity:7030304, activity:7196048, activity:7247738, activity:7261914, activity:7316172, activity:7351930, activity:7362582, activity:7443438, activity:7471766, activity:7516415, activity:9360042, activity:9762606, activity:10668700, activity:10792896