871623

Source:http://linkedlifedata.com/resource/chembl/compound/871623

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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/C20H17BrN2O5/c1-27-18-8-6-12(10-13(18)21)17(24)11-28-19(25)9-7-16-20(26)23-15-5-3-2-4-14(15)22-16/h2-6,8,10H,7,9,11H2,1H3,(H,23,26)
chemicalCompound:standardIn...	YKDIPGIGUKQLSY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1Br)C(=O)COC(=O)CCc2nc3ccccc3nc2O
chemicalCompound:molecularF...	C20H17BrN2O5
chemicalCompound:moleculeId	871623
chemicalCompound:mwFreebase	445.263
chemicalCompound:alogp	3.932
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	98.61
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.375
chemicalCompound:acdLogD	4.139
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	445.263
chemicalCompound:acdMostBpk...	7.153
chemicalCompound:chemblId	CHEMBL1447739
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:971623
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:4009131, activity:5422456, activity:5573277, activity:6729799, activity:7232778