229794

Source:http://linkedlifedata.com/resource/chembl/compound/229794

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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/C9H14N2O/c1-2-7-6-9(12-11-7)8-4-3-5-10-8/h6,8,10H,2-5H2,1H3/t8-/m1/s1
chemicalCompound:standardIn...	AVRBCQVMEHMRQS-MRVPVSSYSA-N
chemicalCompound:canonicalS...	CCc1cc(on1)[C@H]2CCCN2
chemicalCompound:molecularF...	C9 H14 N2 O
chemicalCompound:moleculeId	229794
chemicalCompound:mwFreebase	166.22
chemicalCompound:alogp	1.445
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	38.06
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.743
chemicalCompound:acdLogD	0.376
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	166.22
chemicalCompound:acdMostBpk...	8.756
chemicalCompound:chemblId	CHEMBL136337
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:329794
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:260187, activity:260188