310367

Source:http://linkedlifedata.com/resource/chembl/compound/310367

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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/C18H18Br2F3N3O2/c19-13-8-12(9-14(20)10-13)11-24-6-1-7-25-17(27)26-15-2-4-16(5-3-15)28-18(21,22)23/h2-5,8-10,24H,1,6-7,11H2,(H2,25,26,27)
chemicalCompound:standardIn...	GZTSKKOAJWNVJG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	FC(F)(F)Oc1ccc(NC(=O)NCCCNCc2cc(Br)cc(Br)c2)cc1
chemicalCompound:molecularF...	C18 H18 Br2 F3 N3 O2
chemicalCompound:moleculeId	310367
chemicalCompound:mwFreebase	525.158
chemicalCompound:alogp	5.811
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	62.39
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.676
chemicalCompound:acdLogP	5.668
chemicalCompound:acdLogD	4.606
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	525.158
chemicalCompound:acdMostBpk...	8.492
chemicalCompound:chemblId	CHEMBL187425
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:410367
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:1455766