218416

Source:http://linkedlifedata.com/resource/chembl/compound/218416

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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/C44H66N4O11/c1-13-33-44(8)38(48(42(53)59-44)46-20-15-16-29-19-21-45-34-30(29)17-14-18-32(34)54-11)26(4)35(49)24(2)23-43(7,55-12)39(27(5)36(50)28(6)40(52)57-33)58-41-37(51)31(47(9)10)22-25(3)56-41/h14,17-19,21,24-28,31,33,37-39,41,46,51H,13,15-16,20,22-23H2,1-12H3/t24-,25-,26-,27+,28-,31+,33-,37-,38-,39-,41+,43-,44-/m1/s1
chemicalCompound:standardIn...	YVOWMLHEVBYWQA-LRAPOGBHSA-N
chemicalCompound:canonicalS...	CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@@H](C)[C@H]3N(NCCCc4ccnc5c(OC)cccc45)C(=O)O[C@]13C)OC
chemicalCompound:molecularF...	C44 H66 N4 O11
chemicalCompound:moleculeId	218416
chemicalCompound:mwFreebase	827.015
chemicalCompound:alogp	5.03
chemicalCompound:hba	14
chemicalCompound:hbd	2
chemicalCompound:psa	175.28
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.867
chemicalCompound:acdLogP	5.564
chemicalCompound:acdLogD	4.832
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	827.015
chemicalCompound:acdMostBpk...	8.133
chemicalCompound:chemblId	CHEMBL436185
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:318416
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:473535, activity:473536, activity:473537, activity:473538, activity:473539, activity:473540, activity:473541, activity:473542, activity:473543, activity:473544, activity:473545