171416

Source:http://linkedlifedata.com/resource/chembl/compound/171416

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:171416_ABT-719_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C18H20FN3O3/c1-9-15-12(10-2-3-10)6-13(18(24)25)17(23)22(15)8-14(19)16(9)21-5-4-11(20)7-21/h6,8,10-11H,2-5,7,20H2,1H3,(H,24,25)
chemicalCompound:standardIn...	AUUKUAHPMHVZJL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=C(N2CCC(N)C2)C(=CN3C(=O)C(=CC(=C13)C4CC4)C(=O)O)F
chemicalCompound:molecularF...	C18 H20 F N3 O3
chemicalCompound:moleculeId	171416
chemicalCompound:mwFreebase	345.368
chemicalCompound:alogp	-2.63
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	86.87
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.293
chemicalCompound:acdLogP	2.966
chemicalCompound:acdLogD	0.461
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	345.368
chemicalCompound:acdMostBpk...	9.629
chemicalCompound:chemblId	CHEMBL321528
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:271416
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:1284954, activity:1284955, activity:1284956, activity:1284957, activity:1284958, activity:1284959, activity:1284960, activity:1284961, activity:1284962, activity:1284963, activity:1284964, activity:1284965, activity:1284966, activity:1284967, activity:1284968, activity:1284969, activity:1284970, activity:1284971, activity:1284972, activity:1284973, activity:1284974