1122172

Source:http://linkedlifedata.com/resource/chembl/compound/1122172

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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:1040
chemicalCompound:standardIn...	InChI=1S/C13H13F3N4.ClH/c14-13(15,16)9-1-2-10-11(7-9)18-8-12(19-10)20-5-3-17-4-6-20;/h1-2,7-8,17H,3-6H2;1H
chemicalCompound:standardIn...	OSIKUSMAQCERFJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.FC(F)(F)c1ccc2nc(cnc2c1)N3CCNCC3
chemicalCompound:molecularF...	C13H14ClF3N4
chemicalCompound:moleculeId	1122172
chemicalCompound:mwFreebase	282.264
chemicalCompound:alogp	2.359
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	41.05
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.831
chemicalCompound:acdLogD	0.93
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	318.725
chemicalCompound:acdMostBpk...	8.278
chemicalCompound:chemblId	CHEMBL1743601
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222172
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:1051461, activity:1051462, activity:1051463, activity:1051464, activity:1051465, activity:1051466