568855

Source:http://linkedlifedata.com/resource/chembl/compound/568855

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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/C23H23FN4O3/c1-15(29)27-9-11-28(12-10-27)20-13-19(22(30)21-18(20)3-2-8-25-21)23(31)26-14-16-4-6-17(24)7-5-16/h2-8,13,30H,9-12,14H2,1H3,(H,26,31)
chemicalCompound:standardIn...	GLRLTCIJLBXDEU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)N1CCN(CC1)c2cc(C(=O)NCc3ccc(F)cc3)c(O)c4ncccc24
chemicalCompound:molecularF...	C23H23FN4O3
chemicalCompound:moleculeId	568855
chemicalCompound:mwFreebase	422.452
chemicalCompound:alogp	2.15
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	85.77
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.061
chemicalCompound:acdLogD	0.441
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	422.452
chemicalCompound:acdMostBpk...	11.113
chemicalCompound:chemblId	CHEMBL572902
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:668855
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:2920545