830045

Source:http://linkedlifedata.com/resource/chembl/compound/830045

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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/C21H16BrN3O5/c1-27-15-8-5-13(11-17(15)28-2)21-24-19(25-30-21)12-3-6-14(7-4-12)23-20(26)16-9-10-18(22)29-16/h3-11H,1-2H3,(H,23,26)
chemicalCompound:standardIn...	FAOKGBNOHROHDV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1OC)c2onc(n2)c3ccc(NC(=O)c4oc(Br)cc4)cc3
chemicalCompound:molecularF...	C21H16BrN3O5
chemicalCompound:moleculeId	830045
chemicalCompound:mwFreebase	470.273
chemicalCompound:alogp	3.86
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	99.62
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.353
chemicalCompound:acdLogP	2.895
chemicalCompound:acdLogD	2.895
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	470.273
chemicalCompound:chemblId	CHEMBL1406161
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:930045
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:3697848, activity:3747193, activity:3780646, activity:3844861, activity:3934190, activity:4005475, activity:4063404, activity:4116824, activity:4274694, activity:4524376, activity:4569910, activity:4731249, activity:4755406, activity:4866412, activity:4866770, activity:4873429, activity:4899927, activity:4991736, activity:5407013, activity:5514353, activity:5534531, activity:5583299, activity:5663306, activity:5801216, activity:5882439, activity:6479703, activity:6694006, activity:7002018, activity:7136819, activity:7292757, activity:7408991, activity:7436577