552827

Source:http://linkedlifedata.com/resource/chembl/compound/552827

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:363589
chemicalCompound:standardIn...	InChI=1S/C16H15F6N5O.ClH/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22;/h4,6,9H,1-3,5,7,23H2;1H/t9-;/m1./s1
chemicalCompound:standardIn...	PNXSHNOORJKXDW-SBSPUUFOSA-N
chemicalCompound:canonicalS...	Cl.N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F
chemicalCompound:molecularF...	C16H16ClF6N5O
chemicalCompound:moleculeId	552827
chemicalCompound:mwFreebase	407.314
chemicalCompound:alogp	1.93
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	77.04
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.055
chemicalCompound:acdLogD	1.934
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	443.775
chemicalCompound:acdMostBpk...	7.197
chemicalCompound:chemblId	CHEMBL539077
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:652827
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:1412072, activity:1412073, activity:1412074, activity:1412075, activity:1412076, activity:1412077, activity:1412078, activity:1412079, activity:1412080, activity:1412081, activity:1412082, activity:1412083, activity:1412181, activity:1412182, activity:1412183, activity:1412184, activity:1412185, activity:1412186, activity:1412187, activity:1412188, activity:1412189, activity:1412190, activity:1412191, activity:1412192, activity:1412193, activity:2068765, activity:2068784, activity:2068827, activity:2068828, activity:2068829, activity:2068932, activity:2068939, activity:2068949, activity:2068950, activity:2068989, activity:2068991, activity:2069032