938518

Source:http://linkedlifedata.com/resource/chembl/compound/938518

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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:253571
chemicalCompound:standardIn...	InChI=1S/C13H18Br2N2O.ClH/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10;/h5-6,10-11,17-18H,1-4,7,16H2;1H/t10-,11-;
chemicalCompound:standardIn...	QNVKOSLOVOTXKF-PFWPSKEQSA-N
chemicalCompound:canonicalS...	Cl.Nc1c(Br)cc(Br)cc1CN[C@@H]2CC[C@@H](O)CC2
chemicalCompound:molecularF...	C13H19Br2ClN2O
chemicalCompound:moleculeId	938518
chemicalCompound:mwFreebase	378.103
chemicalCompound:alogp	2.739
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	58.28
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.568
chemicalCompound:acdLogD	3.181
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	414.564
chemicalCompound:acdMostBpk...	8.694
chemicalCompound:chemblId	CHEMBL1514634
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1038518
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:3924853, activity:3941752, activity:4462530, activity:4620379, activity:4690134, activity:4989698, activity:5058620, activity:5336011, activity:5850986, activity:7257105