341234

Source:http://linkedlifedata.com/resource/chembl/compound/341234

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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/C44H65N3O11/c1-8-38-33(26-49)22-27(2)13-15-35(46-55-21-10-9-20-54-34-14-16-36-31(24-34)12-11-18-45-36)28(3)23-32(17-19-48)43(29(4)37(50)25-39(51)57-38)58-44-42(53)40(47(6)7)41(52)30(5)56-44/h11-16,18-19,22,24,28-30,32-33,37-38,40-44,49-50,52-53H,8-10,17,20-21,23,25-26H2,1-7H3/b15-13+,27-22+,46-35+/t28-,29+,30-,32+,33?,37-,38-,40+,41-,42-,43-,44+/m1/s1
chemicalCompound:standardIn...	NENLFQSCPYYVAX-WIBHDNPTSA-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(=N\OCCCCOc3ccc4ncccc4c3)\C=C\C(=C\C1CO)\C
chemicalCompound:molecularF...	C44 H65 N3 O11
chemicalCompound:moleculeId	341234
chemicalCompound:mwFreebase	812
chemicalCompound:alogp	4.205
chemicalCompound:hba	14
chemicalCompound:hbd	4
chemicalCompound:psa	189.7
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.184
chemicalCompound:acdLogP	4.876
chemicalCompound:acdLogD	4.56
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	812
chemicalCompound:acdMostBpk...	7.615
chemicalCompound:chemblId	CHEMBL203079
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:441234
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:1693742, activity:1693757, activity:1693772, activity:1693787, activity:1693802, activity:1693817, activity:1693832, activity:1693847, activity:1693862, activity:1693877, activity:1693892, activity:1693907, activity:1693922, activity:1693937, activity:1693952