243938

Source:http://linkedlifedata.com/resource/chembl/compound/243938

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C19H23BrN2O/c1-23-18-10-9-16(20)12-15(18)13-22-17-8-5-11-21-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,21-22H,5,8,11,13H2,1H3/t17-,19-/m0/s1
chemicalCompound:standardIn...	IWYYILZQWTZMBD-HKUYNNGSSA-N
chemicalCompound:canonicalS...	COc1ccc(Br)cc1CN[C@H]2CCCN[C@H]2c3ccccc3
chemicalCompound:molecularF...	C19 H23 Br N2 O
chemicalCompound:moleculeId	243938
chemicalCompound:mwFreebase	375.303
chemicalCompound:alogp	3.804
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	33.29
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.222
chemicalCompound:acdLogD	2.183
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	375.303
chemicalCompound:acdMostBpk...	9.136
chemicalCompound:chemblId	CHEMBL344536
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:343938
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:733530, activity:733531, activity:733532