1051322

Source:http://linkedlifedata.com/resource/chembl/compound/1051322

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:27647
chemicalCompound:standardIn...	InChI=1S/2C10H17N/c211-10-4-7-1-8(5-10)3-9(2-7)6-10/h27-9H,1-6,11H2
chemicalCompound:standardIn...	JXAUZRIIDTYCJH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC12CC3CC(CC(C3)C1)C2.NC45CC6CC(CC(C6)C4)C5
chemicalCompound:molecularF...	C20H34N2
chemicalCompound:moleculeId	1051322
chemicalCompound:mwFreebase	151.249
chemicalCompound:alogp	1.495
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	26.02
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.442
chemicalCompound:acdLogD	-0.467
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	302.497
chemicalCompound:acdMostBpk...	10.756
chemicalCompound:chemblId	CHEMBL1628431
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1151322
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No