34854

Source:http://linkedlifedata.com/resource/chembl/compound/34854

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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/C40H76N2O12/c1-17-29-40(10,49-16)33(44)26(6)42(13)21-22(2)19-39(9,48-15)35(54-37-31(43)28(41(11)12)18-23(3)50-37)24(4)32(25(5)36(46)52-29)53-30-20-38(8,47-14)34(45)27(7)51-30/h22-35,37,43-45H,17-21H2,1-16H3/t22-,23?,24+,25-,26-,27?,28?,29-,30?,31?,32+,33-,34?,35-,37?,38?,39-,40-/m1/s1
chemicalCompound:standardIn...	SMRZSBGSDZHBEB-IZLKEEHLSA-N
chemicalCompound:canonicalS...	CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@@H](OC3OC(C)CC(C3O)N(C)C)[C@@](C)(C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)OC)OC
chemicalCompound:molecularF...	C40 H76 N2 O12
chemicalCompound:moleculeId	34854
chemicalCompound:mwFreebase	777.038
chemicalCompound:alogp	2.895
chemicalCompound:hba	14
chemicalCompound:hbd	3
chemicalCompound:psa	158.07
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.499
chemicalCompound:acdLogP	3.883
chemicalCompound:acdLogD	2.089
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	777.038
chemicalCompound:acdMostBpk...	8.469
chemicalCompound:chemblId	CHEMBL27100
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:134854
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:448833, activity:448834, activity:448835, activity:448836, activity:448837