182662

Source:http://linkedlifedata.com/resource/chembl/compound/182662

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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:653954
chemicalCompound:standardIn...	InChI=1S/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
chemicalCompound:standardIn...	XJWSAJYUBXQQDR-UHFFFAOYSA-M
chemicalCompound:canonicalS...	[Br-].CCCCCCCCCCCC[N+](C)(C)C
chemicalCompound:molecularF...	C15 H34 N . Br
chemicalCompound:moleculeId	182662
chemicalCompound:mwFreebase	228.437
chemicalCompound:alogp	3.943
chemicalCompound:hba	0
chemicalCompound:hbd	0
chemicalCompound:psa	0
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	0.426
chemicalCompound:acdLogD	0.426
chemicalCompound:fullMwt	308.341
chemicalCompound:chemblId	CHEMBL109873
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:282662
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:282662
chemicalCompound:activity	activity:390691, activity:636780, activity:1085040, activity:6334218, activity:6334233, activity:6334248, activity:6334263, activity:6334314, activity:6334329, activity:6334344, activity:6334359