674763

Source:http://linkedlifedata.com/resource/chembl/compound/674763

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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:44647
chemicalCompound:synonym	synonym:674763_Metaproterenol Sulfate_USAN, synonym:674763_Orciprenaline Sulfate_JAN, synonym:674763_TH-152_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C11H17NO3.H2O4S/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8;1-5(2,3)4/h3-5,7,11-15H,6H2,1-2H3;(H2,1,2,3,4)
chemicalCompound:standardIn...	KSADBGVWHQJPAL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)NCC(O)c1cc(O)cc(O)c1.OS(=O)(=O)O
chemicalCompound:molecularF...	C11H19NO7S
chemicalCompound:moleculeId	674763
chemicalCompound:mwFreebase	211.258
chemicalCompound:alogp	1.099
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	72.72
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.114
chemicalCompound:acdLogP	0.285
chemicalCompound:acdLogD	-1.615
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	309.336
chemicalCompound:acdMostBpk...	9.3
chemicalCompound:chemblId	CHEMBL1200812
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774763
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	Yes
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	METAPROTERENOL SULFATE
chemicalCompound:activity	activity:3473056, activity:3615661, activity:4400436, activity:4600500, activity:5316324, activity:5316680, activity:6456482, activity:6662004, activity:6766937, activity:6855708, activity:7040176, activity:7217680