705853

Source:http://linkedlifedata.com/resource/chembl/compound/705853

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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/C15H19N3O3/c16-11-4-5-17-14-9(2-1-3-10(11)14)6-18-7-13(20)15(21)12(18)8-19/h1-5,12-13,15,19-21H,6-8H2,(H2,16,17)/t12-,13+,15-/m1/s1
chemicalCompound:standardIn...	NBAUGVPASFQHIQ-VNHYZAJKSA-N
chemicalCompound:canonicalS...	Nc1ccnc2c(CN3C[C@H](O)[C@H](O)[C@H]3CO)cccc12
chemicalCompound:molecularF...	C15H19N3O3
chemicalCompound:moleculeId	705853
chemicalCompound:mwFreebase	289.33
chemicalCompound:alogp	-0.371
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	102.84
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.998
chemicalCompound:acdLogP	0.454
chemicalCompound:acdLogD	-0.795
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	289.33
chemicalCompound:acdMostBpk...	8.644
chemicalCompound:chemblId	CHEMBL1256860
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:805853
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:3485478, activity:3485520, activity:3485566, activity:3485631, activity:3487552, activity:3487607