1051497

Source:http://linkedlifedata.com/resource/chembl/compound/1051497

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:115
chemicalCompound:standardIn...	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i1T3
chemicalCompound:standardIn...	SNICXCGAKADSCV-ADGBSPELSA-N
chemicalCompound:canonicalS...	[3H]C([3H])([3H])N1CCC[C@H]1c2cccnc2
chemicalCompound:molecularF...	C10H11N2T3
chemicalCompound:moleculeId	1051497
chemicalCompound:mwFreebase	162.232
chemicalCompound:alogp	1.242
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	16.13
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.57
chemicalCompound:acdLogD	-0.617
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	168.208
chemicalCompound:acdMostBpk...	8
chemicalCompound:chemblId	CHEMBL1628647
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1151497
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:5084243