205383

Source:http://linkedlifedata.com/resource/chembl/compound/205383

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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(41-21-25-7-3-1-4-8-25)31(39)35-19-23-11-15-33-16-12-23)28(38)30(42-22-26-9-5-2-6-10-26)32(40)36-20-24-13-17-34-18-14-24/h1-18,27-30,37-38H,19-22H2,(H,35,39)(H,36,40)/t27-,28-,29-,30-/m1/s1
chemicalCompound:standardIn...	OUADSCLAUZGPOX-SKKKGAJSSA-N
chemicalCompound:canonicalS...	O[C@H]([C@@H](O)[C@@H](OCc1ccccc1)C(=O)NCc2ccncc2)[C@@H](OCc3ccccc3)C(=O)NCc4ccncc4
chemicalCompound:molecularF...	C32 H34 N4 O6
chemicalCompound:moleculeId	205383
chemicalCompound:mwFreebase	570.636
chemicalCompound:alogp	1.321
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	4.991
chemicalCompound:acdLogD	4.986
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	570.636
chemicalCompound:acdMostBpk...	5.414
chemicalCompound:chemblId	CHEMBL337887
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:305383
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:340370, activity:340371