47552

Source:http://linkedlifedata.com/resource/chembl/compound/47552

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C18H17F2N/c19-13-5-3-12(4-6-13)17-11-21-9-1-2-18(21)16-10-14(20)7-8-15(16)17/h3-8,10,17-18H,1-2,9,11H2/t17-,18-/m0/s1
chemicalCompound:standardIn...	AKWMCQOXGLJZLJ-ROUUACIJSA-N
chemicalCompound:canonicalS...	Fc1ccc(cc1)[C@@H]2CN3CCC[C@H]3c4cc(F)ccc24
chemicalCompound:molecularF...	C18H17F2N
chemicalCompound:moleculeId	47552
chemicalCompound:mwFreebase	285.331
chemicalCompound:alogp	4.23
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	3.24
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.985
chemicalCompound:acdLogD	2.481
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	285.331
chemicalCompound:acdMostBpk...	7.741
chemicalCompound:chemblId	CHEMBL33253
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:147552
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No