155427

Source:http://linkedlifedata.com/resource/chembl/compound/155427

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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/C19H21F3N2O2/c20-19(21,22)26-15-8-9-17(25)14(11-15)12-24-16-7-4-10-23-18(16)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16,18,23-25H,4,7,10,12H2/t16-,18-/m0/s1
chemicalCompound:standardIn...	IZRHKURJIQCXMT-WMZOPIPTSA-N
chemicalCompound:canonicalS...	Oc1ccc(OC(F)(F)F)cc1CN[C@H]2CCCN[C@H]2c3ccccc3
chemicalCompound:molecularF...	C19 H21 F3 N2 O2
chemicalCompound:moleculeId	155427
chemicalCompound:mwFreebase	366.377
chemicalCompound:alogp	4.95
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	53.52
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.279
chemicalCompound:acdLogP	3.448
chemicalCompound:acdLogD	1.457
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	366.377
chemicalCompound:acdMostBpk...	9.125
chemicalCompound:chemblId	CHEMBL327357
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:255427
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:873166