327550

Source:http://linkedlifedata.com/resource/chembl/compound/327550

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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/C22H25FN4O5/c1-15(29)24-11-19-13-27(22(30)32-19)16-2-5-21(20(23)10-16)26-8-6-25(7-9-26)12-17-3-4-18(14-28)31-17/h2-5,10,14,19H,6-9,11-13H2,1H3,(H,24,29)/t19-/m0/s1
chemicalCompound:standardIn...	OCHBKHLNDQIDND-IBGZPJMESA-N
chemicalCompound:canonicalS...	CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCN(Cc4oc(C=O)cc4)CC3)c(F)c2
chemicalCompound:molecularF...	C22 H25 F N4 O5
chemicalCompound:moleculeId	327550
chemicalCompound:mwFreebase	444.456
chemicalCompound:alogp	1.98
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	95.33
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.176
chemicalCompound:acdLogD	0.106
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	444.456
chemicalCompound:acdMostBpk...	6.238
chemicalCompound:chemblId	CHEMBL196310
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:427550
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:1603772, activity:1603773, activity:1603774, activity:1603775, activity:1603776, activity:1603777, activity:1603778