34856

Source:http://linkedlifedata.com/resource/chembl/compound/34856

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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/C42H80N2O12/c1-19-31-42(10,51-18)35(47-14)24(2)23-44(13)25(3)21-40(8,49-16)36(56-39-33(45)30(43(11)12)20-26(4)52-39)27(5)34(28(6)38(46)54-31)55-32-22-41(9,50-17)37(48-15)29(7)53-32/h24-37,39,45H,19-23H2,1-18H3/t24-,25+,26?,27-,28+,29?,30?,31+,32?,33?,34-,35+,36+,37?,39?,40+,41?,42+/m0/s1
chemicalCompound:standardIn...	GIUNIUWXQXCEIG-LDVCXBCCSA-N
chemicalCompound:canonicalS...	CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(OC)C(C)O2)[C@H](C)[C@@H](OC3OC(C)CC(C3O)N(C)C)[C@@](C)(C[C@@H](C)N(C)C[C@H](C)[C@@H](OC)[C@]1(C)OC)OC
chemicalCompound:molecularF...	C42 H80 N2 O12
chemicalCompound:moleculeId	34856
chemicalCompound:mwFreebase	805.091
chemicalCompound:alogp	3.323
chemicalCompound:hba	14
chemicalCompound:hbd	1
chemicalCompound:psa	136.08
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.496
chemicalCompound:acdLogP	4.101
chemicalCompound:acdLogD	2.248
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	805.091
chemicalCompound:acdMostBpk...	8.481
chemicalCompound:chemblId	CHEMBL287208
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:134856
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:439455, activity:439456, activity:439457, activity:439458, activity:439459, activity:439460