104532

Source:http://linkedlifedata.com/resource/chembl/compound/104532

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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:104532_Toliprolol_OTHER
chemicalCompound:standardIn...	InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-5-11(3)7-13/h4-7,10,12,14-15H,8-9H2,1-3H3
chemicalCompound:standardIn...	NXQMNKUGGYNLBY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)NCC(O)COc1cccc(C)c1
chemicalCompound:molecularF...	C13H21NO2
chemicalCompound:moleculeId	104532
chemicalCompound:mwFreebase	223.311
chemicalCompound:alogp	2.118
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	41.48
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.917
chemicalCompound:acdLogP	1.795
chemicalCompound:acdLogD	-0.371
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	223.311
chemicalCompound:acdMostBpk...	9.506
chemicalCompound:chemblId	CHEMBL67096
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:204532
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	TOLIPROLOL
chemicalCompound:activity	activity:115325, activity:276441, activity:276442, activity:276443, activity:478484, activity:478485, activity:729717, activity:729718, activity:6261119