573959

Source:http://linkedlifedata.com/resource/chembl/compound/573959

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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/C41H46F2N4O6/c1-40(2,3)36(45-39(51)53-4)37(49)46-47(25-27-14-16-28(17-15-27)30-20-31(42)23-32(43)21-30)19-18-41(52,24-26-10-6-5-7-11-26)38(50)44-35-33-13-9-8-12-29(33)22-34(35)48/h5-17,20-21,23,34-36,48,52H,18-19,22,24-25H2,1-4H3,(H,44,50)(H,45,51)(H,46,49)/t34-,35+,36-,41-/m1/s1
chemicalCompound:standardIn...	QLAREOLVXSXWGS-IBHRRMRLSA-N
chemicalCompound:canonicalS...	COC(=O)N[C@H](C(=O)NN(CC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)Cc4ccc(cc4)c5cc(F)cc(F)c5)C(C)(C)C
chemicalCompound:molecularF...	C41H46F2N4O6
chemicalCompound:moleculeId	573959
chemicalCompound:mwFreebase	728.824
chemicalCompound:alogp	5.666
chemicalCompound:hba	7
chemicalCompound:hbd	5
chemicalCompound:psa	140.23
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.026
chemicalCompound:acdLogP	5.42
chemicalCompound:acdLogD	5.419
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	728.824
chemicalCompound:acdMostBpk...	1.588
chemicalCompound:chemblId	CHEMBL583563
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:673959
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:2945404, activity:2945437, activity:2945470