33473

Source:http://linkedlifedata.com/resource/chembl/compound/33473

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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/C22H23BrF2N4O2/c1-29-5-3-13(4-6-29)11-31-20-10-18-15(9-19(20)30-2)22(27-12-26-18)28-21-16(24)7-14(23)8-17(21)25/h7-10,12-13H,3-6,11H2,1-2H3,(H,26,27,28)
chemicalCompound:standardIn...	KIWKXIDEBINNAK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc2c(Nc3c(F)cc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4
chemicalCompound:molecularF...	C22 H23 Br F2 N4 O2
chemicalCompound:moleculeId	33473
chemicalCompound:mwFreebase	493.344
chemicalCompound:alogp	4.655
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	59.51
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.029
chemicalCompound:acdLogD	2.534
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	493.344
chemicalCompound:acdMostBpk...	8.918
chemicalCompound:chemblId	CHEMBL416191
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:133473
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:326802, activity:326803, activity:326804, activity:326805, activity:326806, activity:326807, activity:326808