1278034

Source:http://linkedlifedata.com/resource/chembl/compound/1278034

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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/C22H27F2N7/c23-16-6-3-7-17(24)19(16)29-22-28-18-12-26-21(27-14-10-8-13(25)9-11-14)30-20(18)31(22)15-4-1-2-5-15/h3,6-7,12-15H,1-2,4-5,8-11,25H2,(H,28,29)(H,26,27,30)/t13-,14-
chemicalCompound:standardIn...	JSDUDTFXRSCOHV-HDJSIYSDSA-N
chemicalCompound:canonicalS...	N[C@@H]1CC[C@H](CC1)Nc2ncc3nc(Nc4c(F)cccc4F)n(C5CCCC5)c3n2
chemicalCompound:molecularF...	C22H27F2N7
chemicalCompound:moleculeId	1278034
chemicalCompound:mwFreebase	427.493
chemicalCompound:alogp	4.538
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	93.68
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.652
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	427.493
chemicalCompound:acdMostBpk...	10.419
chemicalCompound:chemblId	CHEMBL1946646
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1378034
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:8024410, activity:8024432, activity:8024454, activity:8024476, activity:8024480, activity:8024483, activity:8024486, activity:8025144