64254

Source:http://linkedlifedata.com/resource/chembl/compound/64254

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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/C39H65NO14/c1-11-29-26(19-50-39-37(49-10)36(48-9)33(46)24(6)52-39)16-20(2)12-13-27(42)21(3)17-25(14-15-41)35(22(4)28(43)18-30(44)53-29)54-38-34(47)31(40(7)8)32(45)23(5)51-38/h12-13,15-16,21-26,28-29,31-39,43,45-47H,11,14,17-19H2,1-10H3/b13-12+,20-16+/t21-,22+,23-,24-,25+,26-,28-,29-,31+,32-,33-,34-,35-,36-,37-,38+,39-/m1/s1
chemicalCompound:standardIn...	QRPHLEPFYLNRDA-NLGRAQRVSA-N
chemicalCompound:canonicalS...	CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(=C\[C@@H]1CO[C@@H]3O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]3OC)\C
chemicalCompound:molecularF...	C39 H65 N O14
chemicalCompound:moleculeId	64254
chemicalCompound:mwFreebase	771.932
chemicalCompound:alogp	1.596
chemicalCompound:hba	15
chemicalCompound:hbd	4
chemicalCompound:psa	199.97
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.156
chemicalCompound:acdLogP	1.04
chemicalCompound:acdLogD	0.727
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	771.932
chemicalCompound:acdMostBpk...	7.615
chemicalCompound:chemblId	CHEMBL43441
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:164254
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:907171, activity:907172, activity:907173, activity:907174, activity:907175, activity:907176, activity:907177, activity:907178, activity:907179, activity:907180, activity:907181, activity:907182, activity:907183, activity:907184, activity:907185, activity:907186, activity:907187, activity:907188, activity:907189, activity:907190, activity:907191, activity:907192, activity:907193, activity:907194, activity:907195, activity:907196, activity:907197, activity:907198, activity:907199, activity:907200, activity:907201, activity:907202, activity:907203, activity:907204, activity:907205, activity:907206, activity:907207, activity:907208, activity:907209, activity:907210, activity:907211, activity:907212, activity:907213, activity:907214, activity:907215, activity:907216, activity:907217, activity:907218, activity:907219, activity:907220, activity:907221, activity:907222, activity:907223, activity:907224, activity:907225, activity:907226, activity:907227, activity:907228, activity:907229, activity:907230, activity:907231, activity:907232, activity:907233, activity:907234, activity:907235, activity:907236