363649

Source:http://linkedlifedata.com/resource/chembl/compound/363649

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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/C17H19F6N3O2/c18-11-7-13(20)12(19)5-9(11)4-10(24)6-15(27)26-3-1-2-25-16(28)14(26)8-17(21,22)23/h5,7,10,14H,1-4,6,8,24H2,(H,25,28)/t10-,14-/m1/s1
chemicalCompound:standardIn...	RMDAPSXWBVPVOG-QMTHXVAHSA-N
chemicalCompound:canonicalS...	N[C@@H](CC(=O)N1CCCNC(=O)[C@H]1CC(F)(F)F)Cc2cc(F)c(F)cc2F
chemicalCompound:molecularF...	C17H19F6N3O2
chemicalCompound:moleculeId	363649
chemicalCompound:mwFreebase	411.342
chemicalCompound:alogp	1.211
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	75.43
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.312
chemicalCompound:acdLogD	0.083
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	411.342
chemicalCompound:acdMostBpk...	7.25
chemicalCompound:chemblId	CHEMBL217271
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:463649
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:40338
chemicalCompound:activity	activity:1792485, activity:1792492, activity:1792499, activity:1792500, activity:1792502, activity:1792504, activity:1792506, activity:1792508, activity:1792510, activity:1792512, activity:1792514