673030

Source:http://linkedlifedata.com/resource/chembl/compound/673030

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:673030_Bretylium_OTHER
chemicalCompound:standardIn...	InChI=1S/C11H17BrN/c1-4-13(2,3)9-10-7-5-6-8-11(10)12/h5-8H,4,9H2,1-3H3/q+1
chemicalCompound:standardIn...	AAQOQKQBGPPFNS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC[N+](C)(C)Cc1ccccc1Br
chemicalCompound:molecularF...	C11H17BrN
chemicalCompound:moleculeId	673030
chemicalCompound:mwFreebase	243.163
chemicalCompound:alogp	1.646
chemicalCompound:hba	0
chemicalCompound:hbd	0
chemicalCompound:psa	0
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-1.119
chemicalCompound:acdLogD	-1.119
chemicalCompound:fullMwt	243.163
chemicalCompound:chemblId	CHEMBL1199080
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:773030
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	BRETYLIUM
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:3172
chemicalCompound:activity	activity:3393662, activity:3393663, activity:3393664, activity:3393665, activity:3393666, activity:3393667, activity:3393668, activity:3393669, activity:3393670, activity:3393671, activity:3393672, activity:3393673, activity:3393674, activity:3393675, activity:3393676, activity:3393677, activity:7431939, activity:7455883, activity:7832877, activity:7832878, activity:7832879, activity:7832880, activity:7832881, activity:7832882, activity:7832883, activity:7832884, activity:7832885, activity:7832886, activity:7832887, activity:7832888, activity:7832889, activity:7832890