674398

Source:http://linkedlifedata.com/resource/chembl/compound/674398

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:1994
chemicalCompound:synonym	synonym:674398_Isoproterenol Sulfate_JAN
chemicalCompound:standardIn...	InChI=1S/C11H17NO3.H2O4S/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;1-5(2,3)4/h3-5,7,11-15H,6H2,1-2H3;(H2,1,2,3,4)
chemicalCompound:standardIn...	YTOSPBSEWLATJU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)NCC(O)c1ccc(O)c(O)c1.OS(=O)(=O)O
chemicalCompound:molecularF...	C11H19NO7S
chemicalCompound:moleculeId	674398
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...	9.596
chemicalCompound:acdLogP	0.324
chemicalCompound:acdLogD	-1.549
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	309.336
chemicalCompound:acdMostBpk...	9.258
chemicalCompound:chemblId	CHEMBL1200447
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774398
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	Yes
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ISOPROTERENOL SULFATE