1275543

Source:http://linkedlifedata.com/resource/chembl/compound/1275543

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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/C24H34N2O6/c27-13-17-9-15(1-7-21(17)29)23(31)11-25-19-3-5-20(6-4-19)26-12-24(32)16-2-8-22(30)18(10-16)14-28/h1-2,7-10,19-20,23-32H,3-6,11-14H2/t19-,20-,23?,24?
chemicalCompound:standardIn...	DKLSRAFLYIWYLN-VEDCIHCFSA-N
chemicalCompound:canonicalS...	OCc1cc(ccc1O)C(O)CN[C@@H]2CC[C@H](CC2)NCC(O)c3ccc(O)c(CO)c3
chemicalCompound:molecularF...	C24H34N2O6
chemicalCompound:moleculeId	1275543
chemicalCompound:mwFreebase	446.537
chemicalCompound:alogp	1
chemicalCompound:hba	8
chemicalCompound:hbd	8
chemicalCompound:psa	145.44
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.682
chemicalCompound:acdLogP	-0.262
chemicalCompound:acdLogD	-2.646
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	446.537
chemicalCompound:acdMostBpk...	9.438
chemicalCompound:chemblId	CHEMBL1940686
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1375543
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:8007821