1122395

Source:http://linkedlifedata.com/resource/chembl/compound/1122395

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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:49324
chemicalCompound:standardIn...	InChI=1S/C19H21N.BrH/c1-19(15-8-3-2-4-9-15)14-20-13-7-12-18(20)16-10-5-6-11-17(16)19;/h2-6,8-11,18H,7,12-14H2,1H3;1H/t18-,19+;/m0./s1
chemicalCompound:standardIn...	LHTJLRVNEVQUPD-GRTNUQQKSA-N
chemicalCompound:canonicalS...	Br.C[C@@]1(CN2CCC[C@H]2c3ccccc13)c4ccccc4
chemicalCompound:molecularF...	C19H22BrN
chemicalCompound:moleculeId	1122395
chemicalCompound:mwFreebase	263.377
chemicalCompound:alogp	4.093
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	3.24
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.224
chemicalCompound:acdLogD	2.071
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	344.289
chemicalCompound:acdMostBpk...	8.526
chemicalCompound:chemblId	CHEMBL1743824
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222395
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:735618, activity:735619, activity:735620, activity:735621, activity:735622, activity:735623