1122381

Source:http://linkedlifedata.com/resource/chembl/compound/1122381

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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:48382
chemicalCompound:standardIn...	InChI=1S/C18H20N2.BrH/c19-14-9-7-13(8-10-14)17-12-20-11-3-6-18(20)16-5-2-1-4-15(16)17;/h1-2,4-5,7-10,17-18H,3,6,11-12,19H2;1H/t17-,18+;/m0./s1
chemicalCompound:standardIn...	DRYOIZKHXHRZNX-CJRXIRLBSA-N
chemicalCompound:canonicalS...	Br.Nc1ccc(cc1)[C@@H]2CN3CCC[C@@H]3c4ccccc24
chemicalCompound:molecularF...	C18H21BrN2
chemicalCompound:moleculeId	1122381
chemicalCompound:mwFreebase	264.365
chemicalCompound:alogp	3.072
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	29.26
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.638
chemicalCompound:acdLogD	0.347
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	345.277
chemicalCompound:acdMostBpk...	8.754
chemicalCompound:chemblId	CHEMBL1743810
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222381
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:725984, activity:725985, activity:725986, activity:725987, activity:725988, activity:725989