205803

Source:http://linkedlifedata.com/resource/chembl/compound/205803

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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/C32H34N4O6/c37-27(29(41-21-23-11-3-1-4-12-23)31(39)35-19-25-15-7-9-17-33-25)28(38)30(42-22-24-13-5-2-6-14-24)32(40)36-20-26-16-8-10-18-34-26/h1-18,27-30,37-38H,19-22H2,(H,35,39)(H,36,40)/t27-,28-,29-,30-/m1/s1
chemicalCompound:standardIn...	WYYNQGNVYFOKTM-SKKKGAJSSA-N
chemicalCompound:canonicalS...	O[C@H]([C@@H](O)[C@@H](OCc1ccccc1)C(=O)NCc2ccccn2)[C@@H](OCc3ccccc3)C(=O)NCc4ccccn4
chemicalCompound:molecularF...	C32 H34 N4 O6
chemicalCompound:moleculeId	205803
chemicalCompound:mwFreebase	570.636
chemicalCompound:alogp	1.751
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	142.9
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.544
chemicalCompound:acdLogP	6
chemicalCompound:acdLogD	5.998
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	570.636
chemicalCompound:acdMostBpk...	4.581
chemicalCompound:chemblId	CHEMBL124065
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:305803
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:152717, activity:309578, activity:309579