27829

Source:http://linkedlifedata.com/resource/chembl/compound/27829

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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/C25H29FN4O4/c26-19-5-1-3-18(13-19)21(14-23(32)33)29-22(31)15-30-12-10-17(25(30)34)7-9-20-8-6-16-4-2-11-27-24(16)28-20/h1,3,5-6,8,13,17,21H,2,4,7,9-12,14-15H2,(H,27,28)(H,29,31)(H,32,33)/t17-,21-/m0/s1
chemicalCompound:standardIn...	LMFGOELGOHYQNF-UWJYYQICSA-N
chemicalCompound:canonicalS...	OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)c4cccc(F)c4
chemicalCompound:molecularF...	C25 H29 F N4 O4
chemicalCompound:moleculeId	27829
chemicalCompound:mwFreebase	468.521
chemicalCompound:alogp	2.584
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	111.63
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.098
chemicalCompound:acdLogP	-0.33
chemicalCompound:acdLogD	-3.165
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	468.521
chemicalCompound:acdMostBpk...	7.088
chemicalCompound:chemblId	CHEMBL283795
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:127829
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:923926, activity:923927, activity:923928, activity:923929, activity:923930, activity:923931