205492

Source:http://linkedlifedata.com/resource/chembl/compound/205492

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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/C34H50N4O8/c1-7-21(3)25(31(41)35-5)37-33(43)29(45-19-23-15-11-9-12-16-23)27(39)28(40)30(46-20-24-17-13-10-14-18-24)34(44)38-26(22(4)8-2)32(42)36-6/h9-18,21-22,25-30,39-40H,7-8,19-20H2,1-6H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t21-,22+,25?,26?,27-,28-,29-,30-/m1/s1
chemicalCompound:standardIn...	GLKONBHDVMFJNJ-QYUDKBRGSA-N
chemicalCompound:canonicalS...	CC[C@@H](C)C(NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc2ccccc2)C(=O)NC([C@@H](C)CC)C(=O)NC)C(=O)NC
chemicalCompound:molecularF...	C34 H50 N4 O8
chemicalCompound:moleculeId	205492
chemicalCompound:mwFreebase	642.783
chemicalCompound:alogp	2.141
chemicalCompound:hba	8
chemicalCompound:hbd	6
chemicalCompound:psa	175.31
chemicalCompound:rtb	19
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.342
chemicalCompound:acdLogP	6.808
chemicalCompound:acdLogD	6.807
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	642.783
chemicalCompound:chemblId	CHEMBL419596
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:305492
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:327073, activity:327074, activity:327075