705854

Source:http://linkedlifedata.com/resource/chembl/compound/705854

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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/C16H21N3O3/c1-9-5-12(17)11-4-2-3-10(15(11)18-9)6-19-7-14(21)16(22)13(19)8-20/h2-5,13-14,16,20-22H,6-8H2,1H3,(H2,17,18)/t13-,14+,16-/m1/s1
chemicalCompound:standardIn...	PZUPGJSUXDKOOX-IJEWVQPXSA-N
chemicalCompound:canonicalS...	Cc1cc(N)c2cccc(CN3C[C@H](O)[C@H](O)[C@H]3CO)c2n1
chemicalCompound:molecularF...	C16H21N3O3
chemicalCompound:moleculeId	705854
chemicalCompound:mwFreebase	303.356
chemicalCompound:alogp	-0.088
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	102.84
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.999
chemicalCompound:acdLogP	0.773
chemicalCompound:acdLogD	-0.827
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	303.356
chemicalCompound:acdMostBpk...	9.044
chemicalCompound:chemblId	CHEMBL1256861
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:805854
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:3485479, activity:3485567, activity:3485632, activity:3487553, activity:3487608