289725

Source:http://linkedlifedata.com/resource/chembl/compound/289725

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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/C23H26F3N3O4/c1-31-19-8-3-15(11-20(19)32-2)9-10-27-12-17(30)14-33-18-6-4-16(5-7-18)22-28-13-21(29-22)23(24,25)26/h3-8,11,13,17,27,30H,9-10,12,14H2,1-2H3,(H,28,29)
chemicalCompound:standardIn...	BPDMHTWYCOENTL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(CCNCC(O)COc2ccc(cc2)c3nc(c[nH]3)C(F)(F)F)cc1OC
chemicalCompound:molecularF...	C23 H26 F3 N3 O4
chemicalCompound:moleculeId	289725
chemicalCompound:mwFreebase	465.465
chemicalCompound:alogp	3.96
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	88.63
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.878
chemicalCompound:acdLogP	2.93
chemicalCompound:acdLogD	1.455
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	465.465
chemicalCompound:acdMostBpk...	8.769
chemicalCompound:chemblId	CHEMBL366389
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:389725
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:520976, activity:520977, activity:520978