705852

Source:http://linkedlifedata.com/resource/chembl/compound/705852

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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/C16H20N2O4/c1-22-14-6-5-10-3-2-4-11(15(10)17-14)7-18-8-13(20)16(21)12(18)9-19/h2-6,12-13,16,19-21H,7-9H2,1H3/t12-,13+,16-/m1/s1
chemicalCompound:standardIn...	HKROLZSPYKPSJZ-DVOMOZLQSA-N
chemicalCompound:canonicalS...	COc1ccc2cccc(CN3C[C@H](O)[C@H](O)[C@H]3CO)c2n1
chemicalCompound:molecularF...	C16H20N2O4
chemicalCompound:moleculeId	705852
chemicalCompound:mwFreebase	304.341
chemicalCompound:alogp	0.899
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	86.05
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.992
chemicalCompound:acdLogP	2.028
chemicalCompound:acdLogD	1.987
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	304.341
chemicalCompound:acdMostBpk...	6.174
chemicalCompound:chemblId	CHEMBL1256859
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:805852
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:3485477, activity:3485565, activity:3485630, activity:3487551, activity:3487606