1064537

Source:http://linkedlifedata.com/resource/chembl/compound/1064537

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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:1064537_Rimiterol_INN
chemicalCompound:standardIn...	InChI=1S/C12H17NO3/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9/h4-5,7,9,12-16H,1-3,6H2/t9-,12+/m1/s1
chemicalCompound:standardIn...	IYMMESGOJVNCKV-SKDRFNHKSA-N
chemicalCompound:canonicalS...	O[C@H]([C@H]1CCCCN1)c2ccc(O)c(O)c2
chemicalCompound:molecularF...	C12H17NO3
chemicalCompound:moleculeId	1064537
chemicalCompound:mwFreebase	223.268
chemicalCompound:alogp	1.318
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	72.72
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.49
chemicalCompound:acdLogP	0.741
chemicalCompound:acdLogD	-1.308
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	223.268
chemicalCompound:acdMostBpk...	9.722
chemicalCompound:chemblId	CHEMBL1651910
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1164537
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	RIMITEROL
chemicalCompound:activity	activity:3265114, activity:5170288