196667

Source:http://linkedlifedata.com/resource/chembl/compound/196667

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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:196667_Deanol_INN
chemicalCompound:standardIn...	InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3
chemicalCompound:standardIn...	CBTVGIZVANVGBH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(N)CO
chemicalCompound:molecularF...	C4 H11 N O
chemicalCompound:moleculeId	196667
chemicalCompound:mwFreebase	89.1362
chemicalCompound:alogp	-0.605
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	46.25
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.906
chemicalCompound:acdLogP	-0.716
chemicalCompound:acdLogD	-3.511
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	89.1362
chemicalCompound:acdMostBpk...	9.84
chemicalCompound:chemblId	CHEMBL122588
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:296667
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	DEANOL
chemicalCompound:activity	activity:1101779, activity:5328849