169445

Source:http://linkedlifedata.com/resource/chembl/compound/169445

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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/C13H17N3O/c1-2-5-17-13-7-14-6-12(15-13)11-9-16-4-3-10(11)8-16/h2,6-7,10-11H,1,3-5,8-9H2
chemicalCompound:standardIn...	KVUBEHAEFBCTIE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C=CCOc1cncc(n1)C2CN3CCC2C3
chemicalCompound:molecularF...	C13 H17 N3 O
chemicalCompound:moleculeId	169445
chemicalCompound:mwFreebase	231.294
chemicalCompound:alogp	1.163
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	38.25
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.706
chemicalCompound:acdLogD	0.096
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	231.294
chemicalCompound:acdMostBpk...	9.164
chemicalCompound:chemblId	CHEMBL103289
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:269445
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:273557, activity:273558, activity:273559, activity:292924, activity:292925, activity:292926