310595

Source:http://linkedlifedata.com/resource/chembl/compound/310595

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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/C20H23BrF3N3O2/c1-2-29-18-9-6-16(21)12-14(18)13-25-10-3-11-26-19(28)27-17-7-4-15(5-8-17)20(22,23)24/h4-9,12,25H,2-3,10-11,13H2,1H3,(H2,26,27,28)
chemicalCompound:standardIn...	IAWRSCYPISKFPQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1ccc(Br)cc1CNCCCNC(=O)Nc2ccc(cc2)C(F)(F)F
chemicalCompound:molecularF...	C20 H23 Br F3 N3 O2
chemicalCompound:moleculeId	310595
chemicalCompound:mwFreebase	474.315
chemicalCompound:alogp	4.218
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	62.39
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.599
chemicalCompound:acdLogP	4.204
chemicalCompound:acdLogD	2.801
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	474.315
chemicalCompound:acdMostBpk...	8.837
chemicalCompound:chemblId	CHEMBL183366
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:410595
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:1457150