174572

Source:http://linkedlifedata.com/resource/chembl/compound/174572

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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/C25H27FN4O5/c1-17(31)27-15-21-16-30(25(34)35-21)19-5-8-23(22(26)14-19)28-10-12-29(13-11-28)24(33)9-4-18-2-6-20(32)7-3-18/h2-9,14,21,32H,10-13,15-16H2,1H3,(H,27,31)/b9-4+/t21-/m0/s1
chemicalCompound:standardIn...	YUACLCLNBOEKCY-ZSIUJALASA-N
chemicalCompound:canonicalS...	CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCN(CC3)C(=O)\C=C\c4ccc(O)cc4)c(F)c2
chemicalCompound:molecularF...	C25 H27 F N4 O5
chemicalCompound:moleculeId	174572
chemicalCompound:mwFreebase	482.504
chemicalCompound:alogp	2.313
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	102.42
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.888
chemicalCompound:acdLogP	1.471
chemicalCompound:acdLogD	1.469
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	482.504
chemicalCompound:acdMostBpk...	1.804
chemicalCompound:chemblId	CHEMBL319189
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:274572
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:1296212, activity:1296213, activity:1296214, activity:1296215, activity:1296216, activity:1296217, activity:1296218, activity:1296219, activity:1296220, activity:1296221, activity:1296222, activity:1737355, activity:1737508