310642

Source:http://linkedlifedata.com/resource/chembl/compound/310642

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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/C21H24Br2F3N3O2/c1-29(12-3-13-31-19-9-6-16(22)14-18(19)23)11-2-10-27-20(30)28-17-7-4-15(5-8-17)21(24,25)26/h4-9,14H,2-3,10-13H2,1H3,(H2,27,28,30)
chemicalCompound:standardIn...	YDUDLBFOGIOYQW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(CCCNC(=O)Nc1ccc(cc1)C(F)(F)F)CCCOc2ccc(Br)cc2Br
chemicalCompound:molecularF...	C21 H24 Br2 F3 N3 O2
chemicalCompound:moleculeId	310642
chemicalCompound:mwFreebase	567.237
chemicalCompound:alogp	5.281
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	53.6
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.769
chemicalCompound:acdLogP	5.157
chemicalCompound:acdLogD	3.727
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	567.237
chemicalCompound:acdMostBpk...	8.912
chemicalCompound:chemblId	CHEMBL186937
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:410642
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:1455224, activity:1455225, activity:1455226, activity:1455227, activity:1455228, activity:1455229, activity:1455230, activity:1455231, activity:1455232, activity:1455643, activity:1455644, activity:1455645, activity:1455646, activity:1455647, activity:1455648, activity:1455649, activity:1455650, activity:1457153