327566

Source:http://linkedlifedata.com/resource/chembl/compound/327566

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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/C22H26FN5O5/c1-15(29)24-11-19-14-28(22(30)33-19)16-2-5-21(20(23)10-16)27-8-6-26(7-9-27)13-18-4-3-17(32-18)12-25-31/h2-5,10,12,19,31H,6-9,11,13-14H2,1H3,(H,24,29)/b25-12+/t19-/m0/s1
chemicalCompound:standardIn...	KGCZTNVGPRKNEH-BPDXMKQKSA-N
chemicalCompound:canonicalS...	CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCN(Cc4oc(\C=N\O)cc4)CC3)c(F)c2
chemicalCompound:molecularF...	C22 H26 F N5 O5
chemicalCompound:moleculeId	327566
chemicalCompound:mwFreebase	459.471
chemicalCompound:alogp	2.047
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	110.85
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.431
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	0.92
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	459.471
chemicalCompound:acdMostBpk...	6.338
chemicalCompound:chemblId	CHEMBL365373
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:427566
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:1603791, activity:1603792, activity:1603793, activity:1603794, activity:1603795, activity:1603796