568854

Source:http://linkedlifedata.com/resource/chembl/compound/568854

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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/C22H23FN4O2/c1-26-9-11-27(12-10-26)19-13-18(21(28)20-17(19)3-2-8-24-20)22(29)25-14-15-4-6-16(23)7-5-15/h2-8,13,28H,9-12,14H2,1H3,(H,25,29)
chemicalCompound:standardIn...	NBZUOYQZKBUFGU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCN(CC1)c2cc(C(=O)NCc3ccc(F)cc3)c(O)c4ncccc24
chemicalCompound:molecularF...	C22H23FN4O2
chemicalCompound:moleculeId	568854
chemicalCompound:mwFreebase	394.442
chemicalCompound:alogp	2.89
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	68.7
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.898
chemicalCompound:acdLogD	0.06
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	394.442
chemicalCompound:acdMostBpk...	11.113
chemicalCompound:chemblId	CHEMBL572901
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:668854
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:2920546