1109327

Source:http://linkedlifedata.com/resource/chembl/compound/1109327

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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/C40H68N18O6/c1-3-21-62-23-25-64-26-24-63-22-12-45-38-46-39(55-17-13-53(14-18-55)36(60)34(9-5-7-11-42)57-28-31(27-43)49-51-57)48-40(47-38)56-19-15-54(16-20-56)37(61)35(30(2)59)58-29-33(50-52-58)32(44)8-4-6-10-41/h1,28-30,32,34-35,59H,4-27,41-44H2,2H3,(H,45,46,47,48)/t30-,32+,34+,35?/m1/s1
chemicalCompound:standardIn...	JUDZIDYGKVELIC-FMFHQTEESA-N
chemicalCompound:canonicalS...	C[C@@H](O)C(C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCCCN)n4cc(CN)nn4)n5cc(nn5)[C@@H](N)CCCCN
chemicalCompound:molecularF...	C40H68N18O6
chemicalCompound:moleculeId	1109327
chemicalCompound:mwFreebase	897.085
chemicalCompound:alogp	-2.015
chemicalCompound:hba	20
chemicalCompound:hbd	6
chemicalCompound:psa	311.21
chemicalCompound:rtb	28
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-2.276
chemicalCompound:acdLogD	-6.656
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	897.085
chemicalCompound:acdMostBpk...	10.457
chemicalCompound:chemblId	CHEMBL1728596
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1209327
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:5375022, activity:5412959, activity:5498290, activity:5865136, activity:5891194, activity:6603086, activity:6779342, activity:6913310, activity:6971962