169340

Source:http://linkedlifedata.com/resource/chembl/compound/169340

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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/C12H17N3O/c1-16-12-7-13-6-11(14-12)10-8-15-4-2-9(10)3-5-15/h6-7,9-10H,2-5,8H2,1H3
chemicalCompound:standardIn...	BRQJOEFGGNGXAA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cncc(n1)C2CN3CCC2CC3
chemicalCompound:molecularF...	C12 H17 N3 O
chemicalCompound:moleculeId	169340
chemicalCompound:mwFreebase	219.283
chemicalCompound:alogp	0.935
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	38.25
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.541
chemicalCompound:acdLogD	0.299
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	219.283
chemicalCompound:acdMostBpk...	8.821
chemicalCompound:chemblId	CHEMBL103344
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:269340
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:284424, activity:284425, activity:284426