155423

Source:http://linkedlifedata.com/resource/chembl/compound/155423

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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/C22H27F3N2O2/c1-15(2)28-20-11-10-18(29-22(23,24)25)13-17(20)14-27-19-9-6-12-26-21(19)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,19,21,26-27H,6,9,12,14H2,1-2H3/t19-,21-/m0/s1
chemicalCompound:standardIn...	JMPFLCLLMDQYKW-FPOVZHCZSA-N
chemicalCompound:canonicalS...	CC(C)Oc1ccc(OC(F)(F)F)cc1CN[C@H]2CCCN[C@H]2c3ccccc3
chemicalCompound:molecularF...	C22 H27 F3 N2 O2
chemicalCompound:moleculeId	155423
chemicalCompound:mwFreebase	408.457
chemicalCompound:alogp	5.902
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	42.52
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.963
chemicalCompound:acdLogD	2.99
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	408.457
chemicalCompound:acdMostBpk...	9.123
chemicalCompound:chemblId	CHEMBL319301
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:255423
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:889044