676861

Source:http://linkedlifedata.com/resource/chembl/compound/676861

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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:158280
chemicalCompound:standardIn...	InChI=1S/C14H18BrN.ClH/c15-13-7-2-1-6-12(13)14-9-8-11-5-3-4-10-16(11)14;/h1-2,6-7,11,14H,3-5,8-10H2;1H/t11-,14-;/m1./s1
chemicalCompound:standardIn...	DGJCWMYRQPFYJK-GBWFEORMSA-N
chemicalCompound:canonicalS...	Cl.Brc1ccccc1[C@H]2CC[C@H]3CCCCN23
chemicalCompound:molecularF...	C14H19BrClN
chemicalCompound:moleculeId	676861
chemicalCompound:mwFreebase	280.203
chemicalCompound:alogp	4.087
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	3.24
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.47
chemicalCompound:acdLogD	1.513
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	316.664
chemicalCompound:acdMostBpk...	9.384
chemicalCompound:chemblId	CHEMBL1202910
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:776861
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:51328, activity:51329, activity:51330, activity:51331, activity:51332, activity:51333, activity:51334, activity:51335, activity:51336, activity:51337, activity:51338, activity:69255, activity:69256, activity:69257, activity:69258, activity:69259, activity:69260, activity:70646, activity:70647, activity:70648, activity:70649, activity:70650, activity:70651