889446

Source:http://linkedlifedata.com/resource/chembl/compound/889446

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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/C17H14BrFN2O/c1-2-10-3-5-14-11(7-10)8-16(20-14)17(22)21-15-6-4-12(19)9-13(15)18/h3-9,20H,2H2,1H3,(H,21,22)
chemicalCompound:standardIn...	NHWCNZDKUXANOI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCc1ccc2[nH]c(cc2c1)C(=O)Nc3ccc(F)cc3Br
chemicalCompound:molecularF...	C17H14BrFN2O
chemicalCompound:moleculeId	889446
chemicalCompound:mwFreebase	361.208
chemicalCompound:alogp	5.095
chemicalCompound:hba	1
chemicalCompound:hbd	2
chemicalCompound:psa	44.89
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.503
chemicalCompound:acdLogP	4.827
chemicalCompound:acdLogD	4.827
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	361.208
chemicalCompound:chemblId	CHEMBL1465562
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:989446
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:3795554, activity:4251924, activity:4341244, activity:4372622, activity:4565903, activity:5723580, activity:6719618, activity:7432364