1826

Source:http://linkedlifedata.com/resource/chembl/compound/1826

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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/C13H8BrNO4/c1-18-11-5-2-7-8(13(11)14)3-4-10-9(7)6-12(19-10)15(16)17/h2-6H,1H3
chemicalCompound:standardIn...	SHILELWYKIJMNT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc2c(ccc3oc(cc23)[N+](=O)[O-])c1Br
chemicalCompound:molecularF...	C13 H8 Br N O4
chemicalCompound:moleculeId	1826
chemicalCompound:mwFreebase	322.111
chemicalCompound:alogp	3.792
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	68.19
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.64
chemicalCompound:acdLogD	4.64
chemicalCompound:fullMwt	322.111
chemicalCompound:chemblId	CHEMBL7448
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101826
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:704223, activity:704224