423548

Source:http://linkedlifedata.com/resource/chembl/compound/423548

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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/C34H64N2O3/c1-3-4-5-6-7-8-12-15-18-21-24-31(37)33-26-27-34(39-33)32(38)25-22-19-16-13-10-9-11-14-17-20-23-30-28-29-35-36(30)2/h28-29,31-34,37-38H,3-27H2,1-2H3/t31-,32-,33-,34-/m1/s1
chemicalCompound:standardIn...	UXBCKIBXQJACAY-YFRBGRBWSA-N
chemicalCompound:canonicalS...	CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCc2ccnn2C
chemicalCompound:molecularF...	C34 H64 N2 O3
chemicalCompound:moleculeId	423548
chemicalCompound:mwFreebase	548.884
chemicalCompound:alogp	10.424
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	67.5
chemicalCompound:rtb	26
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	9.373
chemicalCompound:acdLogD	9.373
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	548.884
chemicalCompound:acdMostBpk...	2.801
chemicalCompound:chemblId	CHEMBL253619
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:523548
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:2079715, activity:2079716, activity:2079717, activity:2079718, activity:2079719, activity:2079720, activity:2079721, activity:2079722, activity:2079723, activity:2079724, activity:2079725, activity:2079726, activity:2079727, activity:2079728, activity:2079729, activity:2079730, activity:2079731, activity:2079732, activity:2079733, activity:2079734, activity:2079735, activity:2079736, activity:2079737, activity:2079738, activity:2079739, activity:2079740, activity:2079741, activity:2079742, activity:2079743, activity:2079744, activity:2079745, activity:2079746, activity:2079747, activity:2079748, activity:2079749, activity:2079750, activity:2079751, activity:2079752, activity:2079753