144629

Source:http://linkedlifedata.com/resource/chembl/compound/144629

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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/C17H19N3/c1-2-13-6-5-8-15(12-13)19-17(18)20-11-10-14-7-3-4-9-16(14)20/h3-9,12H,2,10-11H2,1H3,(H2,18,19)
chemicalCompound:standardIn...	OUKIBIYFTGZAPH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCc1cccc(NC(=N)N2CCc3ccccc23)c1
chemicalCompound:molecularF...	C17 H19 N3
chemicalCompound:moleculeId	144629
chemicalCompound:mwFreebase	265.353
chemicalCompound:alogp	3.8
chemicalCompound:hba	1
chemicalCompound:hbd	2
chemicalCompound:psa	39.12
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.362
chemicalCompound:acdLogD	2.923
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	265.353
chemicalCompound:acdMostBpk...	10.828
chemicalCompound:chemblId	CHEMBL314423
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:244629
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:828253, activity:828254