298293

Source:http://linkedlifedata.com/resource/chembl/compound/298293

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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/C21H26FN3O/c22-20-9-5-4-8-17(20)13-18(23)14-21(26)25-11-10-24-15-19(25)12-16-6-2-1-3-7-16/h1-9,18-19,24H,10-15,23H2/t18-,19-/m1/s1
chemicalCompound:standardIn...	JCRFZKKDIWRAQQ-RTBURBONSA-N
chemicalCompound:canonicalS...	N[C@@H](CC(=O)N1CCNC[C@H]1Cc2ccccc2)Cc3ccccc3F
chemicalCompound:molecularF...	C21H26FN3O
chemicalCompound:moleculeId	298293
chemicalCompound:mwFreebase	355.449
chemicalCompound:alogp	2.359
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	58.36
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.988
chemicalCompound:acdLogD	0.992
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	355.449
chemicalCompound:acdMostBpk...	8.439
chemicalCompound:chemblId	CHEMBL175872
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:398293
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:1412315, activity:1450939, activity:1450940, activity:2068825, activity:2069030, activity:2069071, activity:2606591