676857

Source:http://linkedlifedata.com/resource/chembl/compound/676857

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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:158262
chemicalCompound:standardIn...	InChI=1S/C14H17F2N.ClH/c15-11-5-3-6-12(16)14(11)13-8-7-10-4-1-2-9-17(10)13;/h3,5-6,10,13H,1-2,4,7-9H2;1H/t10-,13-;/m1./s1
chemicalCompound:standardIn...	VJCMSDQHQVERPK-HTMVYDOJSA-N
chemicalCompound:canonicalS...	Cl.Fc1cccc(F)c1[C@H]2CC[C@H]3CCCCN23
chemicalCompound:molecularF...	C14H18ClF2N
chemicalCompound:moleculeId	676857
chemicalCompound:mwFreebase	237.288
chemicalCompound:alogp	3.75
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	3.24
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.97
chemicalCompound:acdLogD	1.499
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	273.749
chemicalCompound:acdMostBpk...	8.867
chemicalCompound:chemblId	CHEMBL1202906
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:776857
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:48684, activity:48685