473806

Source:http://linkedlifedata.com/resource/chembl/compound/473806

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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/C12H19N3/c1-3-9(4-2)10-5-7-11(8-6-10)15-12(13)14/h5-9H,3-4H2,1-2H3,(H4,13,14,15)
chemicalCompound:standardIn...	NGNNCFARYFFFIY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(CC)c1ccc(NC(=N)N)cc1
chemicalCompound:molecularF...	C12H19N3
chemicalCompound:moleculeId	473806
chemicalCompound:mwFreebase	205.299
chemicalCompound:alogp	2.901
chemicalCompound:hba	1
chemicalCompound:hbd	3
chemicalCompound:psa	61.9
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.326
chemicalCompound:acdLogD	1.593
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	205.299
chemicalCompound:acdMostBpk...	11.021
chemicalCompound:chemblId	CHEMBL482200
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:573806
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:2500570, activity:2500571