618250

Source:http://linkedlifedata.com/resource/chembl/compound/618250

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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:241
chemicalCompound:standardIn...	InChI=1S/C17H18FN3O3.C3H6O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;1-2(4)3(5)6/h7-10,19H,1-6H2,(H,23,24);2,4H,1H3,(H,5,6)
chemicalCompound:standardIn...	NRBJWZSFNGZBFQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(O)C(=O)O.OC(=O)C1=CN(C2CC2)c3cc(N4CCNCC4)c(F)cc3C1=O
chemicalCompound:molecularF...	C20H24FN3O6
chemicalCompound:moleculeId	618250
chemicalCompound:mwFreebase	331.342
chemicalCompound:alogp	-1.27
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	72.88
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.429
chemicalCompound:acdLogP	1.625
chemicalCompound:acdLogD	-0.291
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	421.419
chemicalCompound:acdMostBpk...	8.678
chemicalCompound:chemblId	CHEMBL1077975
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:718250
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:3232235, activity:3232236, activity:6348665, activity:6348675, activity:6348685, activity:6348694