195686

Source:http://linkedlifedata.com/resource/chembl/compound/195686

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:195686_Diethylaminoethanol_OTHER
chemicalCompound:standardIn...	InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3
chemicalCompound:standardIn...	BFSVOASYOCHEOV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)CCO
chemicalCompound:molecularF...	C6 H15 N O
chemicalCompound:moleculeId	195686
chemicalCompound:mwFreebase	117.189
chemicalCompound:alogp	0.478
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	23.47
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.769
chemicalCompound:acdLogD	-1.54
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	117.189
chemicalCompound:acdMostBpk...	9.789
chemicalCompound:chemblId	CHEMBL1183
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:295686
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:52153
chemicalCompound:activity	activity:1099486, activity:3915646, activity:4747227, activity:6521400, activity:6614772, activity:7011259, activity:7130075