675164

Source:http://linkedlifedata.com/resource/chembl/compound/675164

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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:675164_Bronkosol_TRADE_NAME, synonym:675164_Isoetarine_BAN, synonym:675164_Isoetarine_INN, synonym:675164_Isoetarine_TRADE_NAME, synonym:675164_Isoetharine_USAN, synonym:675164_Numotac_TRADE_NAME, synonym:675164_WIN-3406_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3
chemicalCompound:standardIn...	HUYWAWARQUIQLE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(NC(C)C)C(O)c1ccc(O)c(O)c1
chemicalCompound:molecularF...	C13H21NO3
chemicalCompound:moleculeId	675164
chemicalCompound:mwFreebase	239.311
chemicalCompound:alogp	2
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	72.72
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.59
chemicalCompound:acdLogP	1.187
chemicalCompound:acdLogD	-0.842
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	239.311
chemicalCompound:acdMostBpk...	9.439
chemicalCompound:chemblId	CHEMBL1201213
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:775164
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	ISOETHARINE
chemicalCompound:activity	activity:5500756, activity:5573129, activity:5787548, activity:5977842, activity:6434806, activity:6455546, activity:6739068, activity:7028103, activity:7543953